# generated using pymatgen
data_ThCuPRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.00920373
_cell_length_b   4.00920373
_cell_length_c   10.40796064
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThCuPRu2
_chemical_formula_sum   'Th2 Cu2 P2 Ru4'
_cell_volume   167.29458826
_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  0.26501236  1.0
  Th  Th1  1  0.50000000  0.00000000  0.73498764  1.0
  Cu  Cu2  1  0.00000000  0.00000000  0.50000000  1.0
  Cu  Cu3  1  0.50000000  0.50000000  0.50000000  1.0
  P  P4  1  0.00000000  0.50000000  0.88496830  1.0
  P  P5  1  0.50000000  0.00000000  0.11503170  1.0
  Ru  Ru6  1  0.00000000  0.00000000  0.00000000  1.0
  Ru  Ru7  1  0.50000000  0.50000000  0.00000000  1.0
  Ru  Ru8  1  0.00000000  0.50000000  0.66287105  1.0
  Ru  Ru9  1  0.50000000  0.00000000  0.33712895  1.0