# generated using pymatgen
data_Th3InPt12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89172208
_cell_length_b   5.89172191
_cell_length_c   9.68983345
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000098
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th3InPt12
_chemical_formula_sum   'Th3 In1 Pt12'
_cell_volume   291.29392817
_cell_formula_units_Z   1
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
  Th  Th0  1  0.00000000  0.00000000  0.49671723  1.0
  Th  Th1  1  0.00000000  0.00000000  0.00328277  1.0
  Th  Th2  1  0.66666700  0.33333300  0.75000000  1.0
  In  In3  1  0.33333300  0.66666700  0.25000000  1.0
  Pt  Pt4  1  0.49864995  0.50135005  0.49614077  1.0
  Pt  Pt5  1  0.49864995  0.99729989  0.49614077  1.0
  Pt  Pt6  1  0.00270011  0.50135005  0.49614077  1.0
  Pt  Pt7  1  0.49864995  0.50135005  0.00385923  1.0
  Pt  Pt8  1  0.49864995  0.99729989  0.00385923  1.0
  Pt  Pt9  1  0.00270011  0.50135005  0.00385923  1.0
  Pt  Pt10  1  0.82406369  0.64812837  0.25000000  1.0
  Pt  Pt11  1  0.35187163  0.17593631  0.25000000  1.0
  Pt  Pt12  1  0.82406369  0.17593631  0.25000000  1.0
  Pt  Pt13  1  0.17561636  0.35123172  0.75000000  1.0
  Pt  Pt14  1  0.64876828  0.82438364  0.75000000  1.0
  Pt  Pt15  1  0.17561636  0.82438364  0.75000000  1.0