data_[Cu4H8F24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.0693]
_cell_length_b [8.5954]
_cell_length_c [4.9671]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.4987]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CuH2F6]
_chemical_formula_sum '[Cu4 H8 F24]'
_cell_volume [427.9191]
_cell_formula_units_Z [4]
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  0.0000  0.0941  0.7500  1.0
  H  H1  8  0.1363  0.4850  0.3242  1.0
  F  F2  8  0.1034  0.0623  0.1122  1.0
  F  F3  8  0.1057  0.2397  0.6372  1.0
  F  F4  8  0.1386  0.4428  0.1463  1.0
]