data_[Cr6Ir2Rh10]
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
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [5.7694]
_cell_length_b [5.7694]
_cell_length_c [7.7545]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Cr3IrRh5]
_chemical_formula_sum '[Cr6 Ir2 Rh10]'
_cell_volume [258.1130]
_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  4  0.1148  0.3852  0.5000  1
  Cr  Cr1  2  0.0000  0.0000  0.0000  1
  Ir  Ir2  2  0.0000  0.5000  0.0000  1
  Rh  Rh3  8  0.2401  0.7401  0.2247  1
  Rh  Rh4  2  0.0000  0.0000  0.5000  1
]