data_[Cu8Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [12.0742]
_cell_length_b [18.8811]
_cell_length_c [4.1232]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.7053]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [CuSe]
_chemical_formula_sum '[Cu8 Se8]'
_cell_volume [929.1564]
_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
[
  Cu  Cu0  2  0.1862  0.4599  0.0872  1
  Cu  Cu1  2  0.4650  0.4604  0.7224  1
  Cu  Cu2  2  0.8102  0.4594  0.8538  1
  Cu  Cu3  2  0.9960  0.4628  0.5183  1
  Se  Se4  2  0.2727  0.4195  0.6264  1
  Se  Se5  2  0.5348  0.4115  0.2524  1
  Se  Se6  2  0.7363  0.4105  0.3238  1
  Se  Se7  2  0.9988  0.3972  0.0188  1
]