data_[Co2Re4Se12]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0117]
_cell_length_b [3.2285]
_cell_length_c [18.7071]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Co(ReSe3)2]
_chemical_formula_sum '[Co2 Re4 Se12]'
_cell_volume [1087.8428]
_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
[
  Co  Co0  2  0.0000  0.5000  0.5000  1
  Re  Re1  4  0.1457  0.0000  0.5166  1
  Se  Se2  4  0.0789  0.5000  0.5991  1
  Se  Se3  4  0.1006  0.5000  0.4220  1
  Se  Se4  4  0.2437  0.5000  0.5751  1
]