# generated using pymatgen
data_ThAs2IrRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34501486
_cell_length_b   4.34501486
_cell_length_c   9.69787680
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThAs2IrRu
_chemical_formula_sum   'Th2 As4 Ir2 Ru2'
_cell_volume   183.08771086
_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  0.24975254  1.0
  Th  Th1  1  0.50000000  0.00000000  0.75024746  1.0
  As  As2  1  0.00000000  0.00000000  0.50000000  1.0
  As  As3  1  0.50000000  0.50000000  0.50000000  1.0
  As  As4  1  0.00000000  0.50000000  0.87061474  1.0
  As  As5  1  0.50000000  0.00000000  0.12938526  1.0
  Ir  Ir6  1  0.00000000  0.50000000  0.61645945  1.0
  Ir  Ir7  1  0.50000000  0.00000000  0.38354055  1.0
  Ru  Ru8  1  0.00000000  0.00000000  0.00000000  1.0
  Ru  Ru9  1  0.50000000  0.50000000  0.00000000  1.0