# generated using pymatgen
data_ThPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57165089
_cell_length_b   5.86521681
_cell_length_c   7.29016428
_cell_angle_alpha   90.00053391
_cell_angle_beta   90.00000097
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThPd
_chemical_formula_sum   'Th4 Pd4'
_cell_volume   195.47645036
_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
  Th  Th0  1  0.25000001  0.13970793  0.17938495  1.0
  Th  Th1  1  0.74999999  0.86029207  0.82061505  1.0
  Th  Th2  1  0.74999999  0.63973163  0.32053314  1.0
  Th  Th3  1  0.25000001  0.36026837  0.67946686  1.0
  Pd  Pd4  1  0.25000000  0.64893367  0.04824651  1.0
  Pd  Pd5  1  0.75000000  0.35106633  0.95175349  1.0
  Pd  Pd6  1  0.74999999  0.14893042  0.45172969  1.0
  Pd  Pd7  1  0.25000001  0.85106958  0.54827031  1.0