data_[Cr4Rh8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.7497]
_cell_length_b [2.6940]
_cell_length_c [6.3224]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8262]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CrRh2]
_chemical_formula_sum '[Cr4 Rh8]'
_cell_volume [161.2524]
_cell_formula_units_Z [4]
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  0.1672  0.5000  0.3311  1.0
  Cr  Cr1  2  0.4983  0.5000  0.0012  1.0
  Rh  Rh2  2  0.0595  0.0000  0.6043  1.0
  Rh  Rh3  2  0.2132  0.5000  0.9528  1.0
  Rh  Rh4  2  0.3362  0.0000  0.6720  1.0
  Rh  Rh5  2  0.3924  0.0000  0.2719  1.0
]