data_[Cr6Co6]
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 [Cm]
_cell_length_a [9.2660]
_cell_length_b [2.4746]
_cell_length_c [5.9103]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2197]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CrCo]
_chemical_formula_sum '[Cr6 Co6]'
_cell_volume [131.3725]
_cell_formula_units_Z [6]
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  0.0462  0.0000  0.6169  1.0
  Cr  Cr1  2  0.1679  0.5000  0.3288  1.0
  Cr  Cr2  2  0.2297  0.5000  0.9472  1.0
  Co  Co3  2  0.0015  0.0000  0.0001  1.0
  Co  Co4  2  0.3293  0.0000  0.6632  1.0
  Co  Co5  2  0.3921  0.0000  0.2771  1.0
]