data_[Cr4Ir2Ru2]
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 [Amm2]
_cell_length_a [3.9844]
_cell_length_b [2.6887]
_cell_length_c [9.7576]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Cr2IrRu]
_chemical_formula_sum '[Cr4 Ir2 Ru2]'
_cell_volume [104.5314]
_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  0.0000  0.1859  1.0
  Cr  Cr1  2  0.5000  0.0000  0.3126  1.0
  Ir  Ir2  2  0.0000  0.0000  0.9191  1.0
  Ru  Ru3  2  0.5000  0.0000  0.5801  1.0
]