data_[Co6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.9336]
_cell_length_b [3.5804]
_cell_length_c [4.8952]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6898]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CoSe2]
_chemical_formula_sum '[Co6 Se12]'
_cell_volume [314.2940]
_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  4  0.1581  0.5000  0.0164  1.0
  Co  Co1  2  0.0000  0.0000  0.5000  1.0
  Se  Se2  4  0.0433  0.5000  0.7868  1.0
  Se  Se3  4  0.1209  0.0000  0.2969  1.0
  Se  Se4  4  0.2150  0.0000  0.7711  1.0
]