data_[Cr4Co8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [4.9503]
_cell_length_b [3.5039]
_cell_length_c [7.4403]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CrCo2]
_chemical_formula_sum '[Cr4 Co8]'
_cell_volume [129.0564]
_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  0.1370  0.2500  0.0868  1.0
  Co  Co1  4  0.1239  0.2500  0.7538  1.0
  Co  Co2  4  0.1268  0.2500  0.4162  1.0
]