data_[Cr2Ir8Ru6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Ir  2.2000  1.3500  0.7650
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [2.7518]
_cell_length_b [3.9118]
_cell_length_c [22.0881]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [CrIr4Ru3]
_chemical_formula_sum '[Cr2 Ir8 Ru6]'
_cell_volume [237.7673]
_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
[
  Cr  Cr0  2  0.0000  0.5000  0.5000  1
  Ru  Ru1  4  0.0000  0.0000  0.1575  1
  Ir  Ir2  4  0.0000  0.0000  0.2801  1
  Ir  Ir3  4  0.0000  0.0000  0.3998  1
  Ru  Ru4  2  0.0000  0.5000  0.0000  1
]