data_[Cu4Bi4F4]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9536]
_cell_length_b [3.2964]
_cell_length_c [6.8223]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4233]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CuBiF]
_chemical_formula_sum '[Cu4 Bi4 F4]'
_cell_volume [221.7514]
_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  0.2379  0.5000  0.2745  1
  Bi  Bi1  4  0.0914  0.0000  0.8816  1
  F  F2  4  0.1536  0.5000  0.4835  1
]