# generated using pymatgen
data_ThPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.92563975
_cell_length_b   4.44901241
_cell_length_c   5.98428352
_cell_angle_alpha   90.00000000
_cell_angle_beta   109.14717299
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThPt
_chemical_formula_sum   'Th2 Pt2'
_cell_volume   98.73487198
_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  0.13591492  0.75000000  0.27182884  1.0
  Th  Th1  1  0.86408508  0.25000000  0.72817116  1.0
  Pt  Pt2  1  0.40386335  0.75000000  0.80772769  1.0
  Pt  Pt3  1  0.59613665  0.25000000  0.19227231  1.0