data_[Co8Re16]
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 [Cmcm]
_cell_length_a [4.9417]
_cell_length_b [8.4308]
_cell_length_c [7.8236]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CoRe2]
_chemical_formula_sum '[Co8 Re16]'
_cell_volume [325.9501]
_cell_formula_units_Z [8]
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  4  0.0000  0.0000  0.0000  1
  Co  Co1  4  0.0000  0.1608  0.7500  1
  Re  Re2  8  0.0000  0.3291  0.0627  1
  Re  Re3  8  0.2428  0.4076  0.7500  1
]