data_[Ir1Ru1Rh2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ir  2.2000  1.3500  0.7650
  Ru  2.2000  1.3000  0.6610
  Rh  2.2800  1.3500  0.7450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.0461]
_cell_length_b [7.7009]
_cell_length_c [6.0372]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2188]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [IrRu(RhSe4)2]
_chemical_formula_sum '[Ir1 Ru1 Rh2 Se8]'
_cell_volume [234.6048]
_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
[
  Ir  Ir0  1  0.0000  0.0000  0.0000  1.0
  Ru  Ru1  1  0.0000  0.5000  0.0000  1.0
  Rh  Rh2  2  0.5000  0.2510  0.5000  1.0
  Se  Se3  4  0.2803  0.2522  0.1265  1.0
  Se  Se4  2  0.2114  0.5000  0.6283  1.0
  Se  Se5  2  0.2148  0.0000  0.6259  1.0
]