data_[Cu18Se10]
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 [C2]
_cell_length_a [13.0349]
_cell_length_b [5.8588]
_cell_length_c [9.0859]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.0592]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Cu9Se5]
_chemical_formula_sum '[Cu18 Se10]'
_cell_volume [498.6377]
_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
[
  Cu  Cu0  4  0.1061  0.8403  0.9149  1.0
  Cu  Cu1  4  0.1331  0.2664  0.8693  1.0
  Cu  Cu2  4  0.1630  0.7746  0.3259  1.0
  Cu  Cu3  4  0.1917  0.3362  0.2911  1.0
  Cu  Cu4  2  0.0000  0.3596  0.5000  1.0
  Se  Se5  4  0.1015  0.1072  0.4070  1.0
  Se  Se6  4  0.1939  0.6118  0.7881  1.0
  Se  Se7  2  0.0000  0.5852  0.0000  1.0
]