# generated using pymatgen
data_Li3Y3(TeO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.76576069
_cell_length_b   10.76576069
_cell_length_c   10.76576069
_cell_angle_alpha   109.47122063
_cell_angle_beta   109.47122063
_cell_angle_gamma   109.47122063
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Y3(TeO6)2
_chemical_formula_sum   'Li12 Y12 Te8 O48'
_cell_volume   960.53296444
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
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
  Li  Li0  1  0.62500000  0.37500000  0.75000000  1
  Li  Li1  1  0.37500000  0.62500000  0.25000000  1
  Li  Li2  1  0.87500000  0.12500000  0.25000000  1
  Li  Li3  1  0.37500000  0.75000000  0.62500000  1
  Li  Li4  1  0.62500000  0.25000000  0.37500000  1
  Li  Li5  1  0.12500000  0.87500000  0.75000000  1
  Li  Li6  1  0.12500000  0.25000000  0.87500000  1
  Li  Li7  1  0.87500000  0.75000000  0.12500000  1
  Li  Li8  1  0.75000000  0.62500000  0.37500000  1
  Li  Li9  1  0.25000000  0.37500000  0.62500000  1
  Li  Li10  1  0.25000000  0.87500000  0.12500000  1
  Li  Li11  1  0.75000000  0.12500000  0.87500000  1
  Y  Y12  1  0.87500000  0.62500000  0.75000000  1
  Y  Y13  1  0.12500000  0.37500000  0.25000000  1
  Y  Y14  1  0.62500000  0.87500000  0.25000000  1
  Y  Y15  1  0.62500000  0.75000000  0.87500000  1
  Y  Y16  1  0.87500000  0.25000000  0.62500000  1
  Y  Y17  1  0.37500000  0.12500000  0.75000000  1
  Y  Y18  1  0.37500000  0.25000000  0.12500000  1
  Y  Y19  1  0.12500000  0.75000000  0.37500000  1
  Y  Y20  1  0.75000000  0.87500000  0.62500000  1
  Y  Y21  1  0.25000000  0.12500000  0.37500000  1
  Y  Y22  1  0.25000000  0.62500000  0.87500000  1
  Y  Y23  1  0.75000000  0.37500000  0.12500000  1
  Te  Te24  1  0.00000000  0.00000000  0.00000000  1
  Te  Te25  1  0.50000000  0.00000000  0.50000000  1
  Te  Te26  1  0.50000000  0.50000000  0.00000000  1
  Te  Te27  1  0.00000000  0.00000000  0.50000000  1
  Te  Te28  1  0.00000000  0.50000000  0.50000000  1
  Te  Te29  1  0.50000000  0.50000000  0.50000000  1
  Te  Te30  1  0.50000000  0.00000000  0.00000000  1
  Te  Te31  1  0.00000000  0.50000000  0.00000000  1
  O  O32  1  0.69892478  0.62004226  0.52722689  1
  O  O33  1  0.30107522  0.37995774  0.47277311  1
  O  O34  1  0.80107522  0.82830210  0.42111748  1
  O  O35  1  0.40718463  0.87995774  0.07888252  1
  O  O36  1  0.62004226  0.52722689  0.69892478  1
  O  O37  1  0.69892478  0.07888252  0.67169790  1
  O  O38  1  0.19892478  0.17169790  0.57888252  1
  O  O39  1  0.59281537  0.12004226  0.92111748  1
  O  O40  1  0.37995774  0.47277311  0.30107522  1
  O  O41  1  0.30107522  0.92111748  0.32830210  1
  O  O42  1  0.09281537  0.67169790  0.97277311  1
  O  O43  1  0.82830210  0.42111748  0.80107522  1
  O  O44  1  0.80107522  0.97277311  0.87995774  1
  O  O45  1  0.90718463  0.32830210  0.02722689  1
  O  O46  1  0.17169790  0.57888252  0.19892478  1
  O  O47  1  0.19892478  0.02722689  0.12004226  1
  O  O48  1  0.87995774  0.07888252  0.40718463  1
  O  O49  1  0.40718463  0.52722689  0.82830210  1
  O  O50  1  0.12004226  0.92111748  0.59281537  1
  O  O51  1  0.59281537  0.47277311  0.17169790  1
  O  O52  1  0.67169790  0.97277311  0.09281537  1
  O  O53  1  0.09281537  0.42111748  0.62004226  1
  O  O54  1  0.32830210  0.02722689  0.90718463  1
  O  O55  1  0.90718463  0.57888252  0.37995774  1
  O  O56  1  0.52722689  0.69892478  0.62004226  1
  O  O57  1  0.62004226  0.09281537  0.42111748  1
  O  O58  1  0.47277311  0.30107522  0.37995774  1
  O  O59  1  0.37995774  0.90718463  0.57888252  1
  O  O60  1  0.07888252  0.40718463  0.87995774  1
  O  O61  1  0.87995774  0.80107522  0.97277311  1
  O  O62  1  0.92111748  0.59281537  0.12004226  1
  O  O63  1  0.12004226  0.19892478  0.02722689  1
  O  O64  1  0.97277311  0.09281537  0.67169790  1
  O  O65  1  0.67169790  0.69892478  0.07888252  1
  O  O66  1  0.02722689  0.90718463  0.32830210  1
  O  O67  1  0.32830210  0.30107522  0.92111748  1
  O  O68  1  0.42111748  0.80107522  0.82830210  1
  O  O69  1  0.82830210  0.40718463  0.52722689  1
  O  O70  1  0.57888252  0.19892478  0.17169790  1
  O  O71  1  0.17169790  0.59281537  0.47277311  1
  O  O72  1  0.07888252  0.67169790  0.69892478  1
  O  O73  1  0.92111748  0.32830210  0.30107522  1
  O  O74  1  0.97277311  0.87995774  0.80107522  1
  O  O75  1  0.02722689  0.12004226  0.19892478  1
  O  O76  1  0.42111748  0.62004226  0.09281537  1
  O  O77  1  0.57888252  0.37995774  0.90718463  1
  O  O78  1  0.52722689  0.82830210  0.40718463  1
  O  O79  1  0.47277311  0.17169790  0.59281537  1
