# generated using pymatgen
data_ThP2PdRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.24039997
_cell_length_b   4.24039997
_cell_length_c   9.51888787
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThP2PdRu
_chemical_formula_sum   'Th2 P4 Pd2 Ru2'
_cell_volume   171.15904531
_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  0.00000000  0.50000000  0.74370531  1.0
  Th  Th1  1  0.50000000  0.00000000  0.25629469  1.0
  P  P2  1  0.50000000  0.00000000  0.85260194  1.0
  P  P3  1  0.00000000  0.50000000  0.14739806  1.0
  P  P4  1  0.00000000  0.00000000  0.50000000  1.0
  P  P5  1  0.50000000  0.50000000  0.50000000  1.0
  Pd  Pd6  1  0.50000000  0.50000000  0.00000000  1.0
  Pd  Pd7  1  0.00000000  0.00000000  0.00000000  1.0
  Ru  Ru8  1  0.00000000  0.50000000  0.39115701  1.0
  Ru  Ru9  1  0.50000000  0.00000000  0.60884299  1.0