# generated using pymatgen
data_ThPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89632490
_cell_length_b   5.89632562
_cell_length_c   5.01700383
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000748
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThPt3
_chemical_formula_sum   'Th2 Pt6'
_cell_volume   151.05597104
_cell_formula_units_Z   2
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  0.33333300  0.66666600  0.74999800  1.0
  Th  Th1  1  0.66666700  0.33333300  0.25000000  1.0
  Pt  Pt2  1  0.15979657  0.31959313  0.25000000  1.0
  Pt  Pt3  1  0.68040787  0.84020443  0.25000000  1.0
  Pt  Pt4  1  0.15979557  0.84020443  0.25000000  1.0
  Pt  Pt5  1  0.84020443  0.68040687  0.74999800  1.0
  Pt  Pt6  1  0.31959313  0.15979657  0.74999800  1.0
  Pt  Pt7  1  0.84020343  0.15979657  0.74999800  1.0