data_[Cu8H8F24]
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 [10.8069]
_cell_length_b [7.8095]
_cell_length_c [6.3447]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.8210]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CuHF3]
_chemical_formula_sum '[Cu8 H8 F24]'
_cell_volume [486.0105]
_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  4  0.0000  0.1037  0.7500  1.0
  Cu  Cu1  4  0.0000  0.2709  0.2500  1.0
  H  H2  8  0.1174  0.4260  0.7204  1.0
  F  F3  8  0.1006  0.0835  0.1965  1.0
  F  F4  8  0.1016  0.2740  0.6706  1.0
  F  F5  8  0.1327  0.4369  0.2507  1.0
]