data_[Cr8Co2B6]
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
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [2.8701]
_cell_length_b [2.8701]
_cell_length_c [21.8970]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [Cr4CoB3]
_chemical_formula_sum '[Cr8 Co2 B6]'
_cell_volume [156.2140]
_cell_formula_units_Z [2]
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  0.0000  0.0000  0.1642  1
  Cr  Cr1  4  0.3333  0.6667  0.0571  1
  Co  Co2  2  0.3333  0.6667  0.2500  1
  B  B3  4  0.3333  0.6667  0.6129  1
  B  B4  2  0.0000  0.0000  0.0000  1
]