# generated using pymatgen
data_Y3Al5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.12816800
_cell_length_b   12.12816800
_cell_length_c   12.12816800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Al5O12
_chemical_formula_sum   'Y24 Al40 O96'
_cell_volume   1783.96205472
_cell_formula_units_Z   8
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_type_symbol
 _atom_type_oxidation_number
  Y3+  3.0
  Al3+  3.0
  O2-  -2.0
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Y3+  Y0  1  0.25000000  0.37500000  0.50000000  1
  Y3+  Y1  1  0.00000000  0.25000000  0.62500000  1
  Y3+  Y2  1  0.50000000  0.25000000  0.37500000  1
  Y3+  Y3  1  0.62500000  0.00000000  0.25000000  1
  Y3+  Y4  1  0.37500000  0.50000000  0.25000000  1
  Y3+  Y5  1  0.25000000  0.62500000  0.00000000  1
  Y3+  Y6  1  0.25000000  0.12500000  0.00000000  1
  Y3+  Y7  1  0.50000000  0.25000000  0.87500000  1
  Y3+  Y8  1  0.00000000  0.25000000  0.12500000  1
  Y3+  Y9  1  0.87500000  0.50000000  0.25000000  1
  Y3+  Y10  1  0.12500000  0.00000000  0.25000000  1
  Y3+  Y11  1  0.25000000  0.87500000  0.50000000  1
  Y3+  Y12  1  0.75000000  0.87500000  0.00000000  1
  Y3+  Y13  1  0.50000000  0.75000000  0.12500000  1
  Y3+  Y14  1  0.00000000  0.75000000  0.87500000  1
  Y3+  Y15  1  0.12500000  0.50000000  0.75000000  1
  Y3+  Y16  1  0.87500000  0.00000000  0.75000000  1
  Y3+  Y17  1  0.75000000  0.12500000  0.50000000  1
  Y3+  Y18  1  0.75000000  0.62500000  0.50000000  1
  Y3+  Y19  1  0.00000000  0.75000000  0.37500000  1
  Y3+  Y20  1  0.50000000  0.75000000  0.62500000  1
  Y3+  Y21  1  0.37500000  0.00000000  0.75000000  1
  Y3+  Y22  1  0.62500000  0.50000000  0.75000000  1
  Y3+  Y23  1  0.75000000  0.37500000  0.00000000  1
  Al3+  Al24  1  0.75000000  0.12500000  0.00000000  1
  Al3+  Al25  1  0.75000000  0.37500000  0.50000000  1
  Al3+  Al26  1  0.12500000  0.50000000  0.25000000  1
  Al3+  Al27  1  0.50000000  0.75000000  0.37500000  1
  Al3+  Al28  1  0.37500000  0.50000000  0.75000000  1
  Al3+  Al29  1  0.50000000  0.25000000  0.12500000  1
  Al3+  Al30  1  0.25000000  0.37500000  0.00000000  1
  Al3+  Al31  1  0.00000000  0.75000000  0.12500000  1
  Al3+  Al32  1  0.00000000  0.25000000  0.37500000  1
  Al3+  Al33  1  0.12500000  0.00000000  0.75000000  1
  Al3+  Al34  1  0.37500000  0.00000000  0.25000000  1
  Al3+  Al35  1  0.25000000  0.12500000  0.50000000  1
  Al3+  Al36  1  0.00000000  0.50000000  0.00000000  1
  Al3+  Al37  1  0.25000000  0.75000000  0.25000000  1
  Al3+  Al38  1  0.25000000  0.25000000  0.25000000  1
  Al3+  Al39  1  0.25000000  0.25000000  0.75000000  1
  Al3+  Al40  1  0.00000000  0.00000000  0.00000000  1
  Al3+  Al41  1  0.50000000  0.00000000  0.00000000  1
  Al3+  Al42  1  0.00000000  0.00000000  0.50000000  1
  Al3+  Al43  1  0.75000000  0.25000000  0.25000000  1
  Al3+  Al44  1  0.25000000  0.62500000  0.50000000  1
  Al3+  Al45  1  0.25000000  0.87500000  0.00000000  1
  Al3+  Al46  1  0.62500000  0.00000000  0.75000000  1
  Al3+  Al47  1  0.00000000  0.25000000  0.87500000  1
  Al3+  Al48  1  0.87500000  0.00000000  0.25000000  1
  Al3+  Al49  1  0.00000000  0.75000000  0.62500000  1
  Al3+  Al50  1  0.75000000  0.87500000  0.50000000  1
  Al3+  Al51  1  0.50000000  0.25000000  0.62500000  1
  Al3+  Al52  1  0.50000000  0.75000000  0.87500000  1
  Al3+  Al53  1  0.62500000  0.50000000  0.25000000  1
  Al3+  Al54  1  0.87500000  0.50000000  0.75000000  1
  Al3+  Al55  1  0.75000000  0.62500000  0.00000000  1
  Al3+  Al56  1  0.50000000  0.00000000  0.50000000  1
  Al3+  Al57  1  0.75000000  0.25000000  0.75000000  1
  Al3+  Al58  1  0.75000000  0.75000000  0.75000000  1
  Al3+  Al59  1  0.75000000  0.75000000  0.25000000  1
  Al3+  Al60  1  0.50000000  0.50000000  0.50000000  1
  Al3+  Al61  1  0.00000000  0.50000000  0.50000000  1
  Al3+  Al62  1  0.50000000  0.50000000  0.00000000  1
  Al3+  Al63  1  0.25000000  0.75000000  0.75000000  1
  O2-  O64  1  0.80014500  0.28048400  0.60100200  1
  O2-  O65  1  0.60100200  0.80014500  0.28048400  1
  O2-  O66  1  0.21951600  0.39899800  0.30014500  1
  O2-  O67  1  0.19985500  0.78048400  0.89899800  1
  O2-  O68  1  0.35100200  0.46951600  0.05014500  1
  O2-  O69  1  0.60100200  0.19985500  0.21951600  1
  O2-  O70  1  0.64899800  0.03048400  0.05014500  1
  O2-  O71  1  0.28048400  0.60100200  0.80014500  1
  O2-  O72  1  0.35100200  0.53048400  0.44985500  1
  O2-  O73  1  0.05014500  0.64899800  0.03048400  1
  O2-  O74  1  0.46951600  0.05014500  0.35100200  1
  O2-  O75  1  0.46951600  0.94985500  0.14899800  1
  O2-  O76  1  0.94985500  0.14899800  0.46951600  1
  O2-  O77  1  0.03048400  0.05014500  0.64899800  1
  O2-  O78  1  0.44985500  0.35100200  0.53048400  1
  O2-  O79  1  0.53048400  0.44985500  0.35100200  1
  O2-  O80  1  0.05014500  0.35100200  0.46951600  1
  O2-  O81  1  0.30014500  0.21951600  0.39899800  1
  O2-  O82  1  0.19985500  0.21951600  0.60100200  1
  O2-  O83  1  0.14899800  0.96951600  0.05014500  1
  O2-  O84  1  0.89899800  0.19985500  0.78048400  1
  O2-  O85  1  0.78048400  0.89899800  0.19985500  1
  O2-  O86  1  0.21951600  0.60100200  0.19985500  1
  O2-  O87  1  0.14899800  0.46951600  0.94985500  1
  O2-  O88  1  0.69985500  0.21951600  0.89899800  1
  O2-  O89  1  0.89899800  0.69985500  0.21951600  1
  O2-  O90  1  0.28048400  0.10100200  0.19985500  1
  O2-  O91  1  0.30014500  0.71951600  0.60100200  1
  O2-  O92  1  0.14899800  0.03048400  0.44985500  1
  O2-  O93  1  0.89899800  0.30014500  0.28048400  1
  O2-  O94  1  0.85100200  0.46951600  0.44985500  1
  O2-  O95  1  0.21951600  0.89899800  0.69985500  1
  O2-  O96  1  0.35100200  0.03048400  0.55014500  1
  O2-  O97  1  0.28048400  0.89899800  0.30014500  1
  O2-  O98  1  0.71951600  0.60100200  0.30014500  1
  O2-  O99  1  0.10100200  0.19985500  0.28048400  1
  O2-  O100  1  0.60100200  0.30014500  0.71951600  1
  O2-  O101  1  0.30014500  0.28048400  0.89899800  1
  O2-  O102  1  0.19985500  0.28048400  0.10100200  1
  O2-  O103  1  0.44985500  0.14899800  0.03048400  1
  O2-  O104  1  0.96951600  0.05014500  0.14899800  1
  O2-  O105  1  0.05014500  0.14899800  0.96951600  1
  O2-  O106  1  0.46951600  0.44985500  0.85100200  1
  O2-  O107  1  0.55014500  0.35100200  0.03048400  1
  O2-  O108  1  0.03048400  0.55014500  0.35100200  1
  O2-  O109  1  0.03048400  0.44985500  0.14899800  1
  O2-  O110  1  0.44985500  0.85100200  0.46951600  1
  O2-  O111  1  0.39899800  0.30014500  0.21951600  1
  O2-  O112  1  0.30014500  0.78048400  0.10100200  1
  O2-  O113  1  0.10100200  0.30014500  0.78048400  1
  O2-  O114  1  0.71951600  0.89899800  0.80014500  1
  O2-  O115  1  0.69985500  0.28048400  0.39899800  1
  O2-  O116  1  0.85100200  0.96951600  0.55014500  1
  O2-  O117  1  0.10100200  0.69985500  0.71951600  1
  O2-  O118  1  0.14899800  0.53048400  0.55014500  1
  O2-  O119  1  0.78048400  0.10100200  0.30014500  1
  O2-  O120  1  0.85100200  0.03048400  0.94985500  1
  O2-  O121  1  0.55014500  0.14899800  0.53048400  1
  O2-  O122  1  0.96951600  0.55014500  0.85100200  1
  O2-  O123  1  0.96951600  0.44985500  0.64899800  1
  O2-  O124  1  0.44985500  0.64899800  0.96951600  1
  O2-  O125  1  0.53048400  0.55014500  0.14899800  1
  O2-  O126  1  0.94985500  0.85100200  0.03048400  1
  O2-  O127  1  0.03048400  0.94985500  0.85100200  1
  O2-  O128  1  0.55014500  0.85100200  0.96951600  1
  O2-  O129  1  0.80014500  0.71951600  0.89899800  1
  O2-  O130  1  0.69985500  0.71951600  0.10100200  1
  O2-  O131  1  0.64899800  0.46951600  0.55014500  1
  O2-  O132  1  0.39899800  0.69985500  0.28048400  1
  O2-  O133  1  0.28048400  0.39899800  0.69985500  1
  O2-  O134  1  0.71951600  0.10100200  0.69985500  1
  O2-  O135  1  0.64899800  0.96951600  0.44985500  1
  O2-  O136  1  0.19985500  0.71951600  0.39899800  1
  O2-  O137  1  0.39899800  0.19985500  0.71951600  1
  O2-  O138  1  0.78048400  0.60100200  0.69985500  1
  O2-  O139  1  0.80014500  0.21951600  0.10100200  1
  O2-  O140  1  0.64899800  0.53048400  0.94985500  1
  O2-  O141  1  0.39899800  0.80014500  0.78048400  1
  O2-  O142  1  0.35100200  0.96951600  0.94985500  1
  O2-  O143  1  0.71951600  0.39899800  0.19985500  1
  O2-  O144  1  0.85100200  0.53048400  0.05014500  1
  O2-  O145  1  0.78048400  0.39899800  0.80014500  1
  O2-  O146  1  0.21951600  0.10100200  0.80014500  1
  O2-  O147  1  0.60100200  0.69985500  0.78048400  1
  O2-  O148  1  0.10100200  0.80014500  0.21951600  1
  O2-  O149  1  0.80014500  0.78048400  0.39899800  1
  O2-  O150  1  0.69985500  0.78048400  0.60100200  1
  O2-  O151  1  0.94985500  0.64899800  0.53048400  1
  O2-  O152  1  0.46951600  0.55014500  0.64899800  1
  O2-  O153  1  0.55014500  0.64899800  0.46951600  1
  O2-  O154  1  0.96951600  0.94985500  0.35100200  1
  O2-  O155  1  0.05014500  0.85100200  0.53048400  1
  O2-  O156  1  0.53048400  0.05014500  0.85100200  1
  O2-  O157  1  0.53048400  0.94985500  0.64899800  1
  O2-  O158  1  0.94985500  0.35100200  0.96951600  1
  O2-  O159  1  0.89899800  0.80014500  0.71951600  1
