data_[Cr4Fe4Rh12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Fe  1.8300  1.4000  0.8525
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.7296]
_cell_length_b [2.6995]
_cell_length_c [9.3588]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.2376]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CrFeRh3]
_chemical_formula_sum '[Cr4 Fe4 Rh12]'
_cell_volume [270.2136]
_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  0.2047  0.5000  0.8269  1
  Fe  Fe1  4  0.0203  0.0000  0.6491  1
  Rh  Rh2  4  0.0887  0.0000  0.9481  1
  Rh  Rh3  4  0.1261  0.5000  0.2289  1
  Rh  Rh4  4  0.1711  0.5000  0.5504  1
]