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 [C2/m]
_cell_length_a [9.7693]
_cell_length_b [2.6867]
_cell_length_c [6.2905]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0672]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CrRh2]
_chemical_formula_sum '[Cr4 Rh8]'
_cell_volume [160.1583]
_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  4  0.0292  0.0000  0.8096  1.0
  Rh  Rh1  4  0.1353  0.5000  0.5304  1.0
  Rh  Rh2  4  0.1819  0.5000  0.1302  1.0
]