data_[Cr27Co12]
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 [R-3m]
_cell_length_a [4.5430]
_cell_length_b [4.5430]
_cell_length_c [24.6741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cr9Co4]
_chemical_formula_sum '[Cr27 Co12]'
_cell_volume [441.0280]
_cell_formula_units_Z [3]
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  18  0.0025  0.5012  0.4110  1
  Cr  Cr1  6  0.0000  0.0000  0.1682  1
  Cr  Cr2  3  0.0000  0.0000  0.0000  1
  Co  Co3  6  0.0000  0.0000  0.3491  1
  Co  Co4  6  0.0000  0.0000  0.4542  1
]