data_[Co6Re6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.5325]
_cell_length_b [2.6285]
_cell_length_c [6.2959]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5970]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CoRe]
_chemical_formula_sum '[Co6 Re6]'
_cell_volume [152.6566]
_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
[
  Co  Co0  2  0.0029  0.0000  0.0028  1.0
  Co  Co1  2  0.3304  0.0000  0.6629  1.0
  Co  Co2  2  0.3908  0.0000  0.2774  1.0
  Re  Re3  2  0.0430  0.0000  0.6139  1.0
  Re  Re4  2  0.1689  0.5000  0.3281  1.0
  Re  Re5  2  0.2307  0.5000  0.9483  1.0
]