# generated using pymatgen
data_ThSiPRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.70580477
_cell_length_b   5.70580460
_cell_length_c   5.70580441
_cell_angle_alpha   137.38180734
_cell_angle_beta   137.38180583
_cell_angle_gamma   61.85112605
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThSiPRu2
_chemical_formula_sum   'Th1 Si1 P1 Ru2'
_cell_volume   84.17489822
_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  0.00223721  0.00223721  1.00000000  1.0
  Si  Si1  1  0.37034401  0.37034401  0.00000000  1.0
  P  P2  1  0.63145910  0.63145910  1.00000000  1.0
  Ru  Ru3  1  0.24797984  0.74797984  0.50000000  1.0
  Ru  Ru4  1  0.74797984  0.24797984  0.50000000  1.0