data_[Cr4Ru4Rh12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Ru  2.2000  1.3000  0.6610
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.6104]
_cell_length_b [2.7089]
_cell_length_c [8.9340]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0861]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CrRuRh3]
_chemical_formula_sum '[Cr4 Ru4 Rh12]'
_cell_volume [275.7400]
_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  0.0489  0.0000  0.1560  1.0
  Ru  Ru1  4  0.0474  0.5000  0.6554  1.0
  Rh  Rh2  4  0.1372  0.5000  0.9535  1.0
  Rh  Rh3  4  0.1468  0.0000  0.4469  1.0
  Rh  Rh4  4  0.2469  0.5000  0.2451  1.0
]