data_[Cu8Se8F24]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.9400]
_cell_length_b [10.2293]
_cell_length_c [10.0093]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.6101]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CuSeF3]
_chemical_formula_sum '[Cu8 Se8 F24]'
_cell_volume [707.1692]
_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  8  0.1625  0.0359  0.9085  1
  Se  Se1  8  0.1696  0.2181  0.7503  1
  F  F2  8  0.0914  0.0927  0.5530  1
  F  F3  8  0.1280  0.4485  0.6378  1
  F  F4  8  0.2470  0.3303  0.8870  1
]