data_[Cu4H2F12]
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 [P-1]
_cell_length_a [5.3528]
_cell_length_b [6.0149]
_cell_length_c [7.4151]
_cell_angle_alpha [87.1656]
_cell_angle_beta [79.8424]
_cell_angle_gamma [80.6624]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cu2HF6]
_chemical_formula_sum '[Cu4 H2 F12]'
_cell_volume [231.8316]
_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  2  0.2527  0.7559  0.2367  1
  Cu  Cu1  2  0.3435  0.1758  0.3910  1
  H  H2  2  0.2479  0.2426  0.7863  1
  F  F3  2  0.0934  0.2802  0.6443  1
  F  F4  2  0.1451  0.0848  0.2307  1
  F  F5  2  0.1808  0.7048  0.0128  1
  F  F6  2  0.3504  0.8592  0.4815  1
  F  F7  2  0.3814  0.1865  0.8651  1
  F  F8  2  0.4073  0.4572  0.2969  1
]