data_[Bi2H2F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [3.6565]
_cell_length_b [6.3557]
_cell_length_c [7.1118]
_cell_angle_alpha [70.5228]
_cell_angle_beta [89.9365]
_cell_angle_gamma [74.1747]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BiHF3]
_chemical_formula_sum '[Bi2 H2 F6]'
_cell_volume [149.1742]
_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
[
  Bi  Bi0  2  0.2411  0.0156  0.2445  1.0
  H  H1  2  0.4043  0.4918  0.4897  1.0
  F  F2  2  0.1703  0.1675  0.8940  1.0
  F  F3  2  0.1718  0.1639  0.5064  1.0
  F  F4  2  0.3703  0.7462  0.8249  1.0
]