data_[Cu1Bi1H2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Bi  2.0200  1.6000  1.0350
  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 [3.7903]
_cell_length_b [5.2170]
_cell_length_c [8.3040]
_cell_angle_alpha [75.2047]
_cell_angle_beta [85.4436]
_cell_angle_gamma [70.6229]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CuBiH2F8]
_chemical_formula_sum '[Cu1 Bi1 H2 F8]'
_cell_volume [149.7632]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Bi  Bi1  1  0.0000  0.0000  0.5000  1.0
  H  H2  2  0.0058  0.4522  0.7536  1.0
  F  F3  2  0.0670  0.6270  0.7474  1.0
  F  F4  2  0.0729  0.8075  0.2191  1.0
  F  F5  2  0.3844  0.2565  0.5231  1.0
  F  F6  2  0.4482  0.7935  0.9507  1.0
]