data_[Bi2F46]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.1266]
_cell_length_b [12.7189]
_cell_length_c [4.5634]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6617]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [BiF23]
_chemical_formula_sum '[Bi2 F46]'
_cell_volume [518.7817]
_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  0.0000  0.8061  0.0000  1
  F  F1  4  0.0655  0.6153  0.4384  1
  F  F2  4  0.1128  0.8100  0.4384  1
  F  F3  4  0.1193  0.3080  0.7523  1
  F  F4  4  0.1265  0.4777  0.1421  1
  F  F5  4  0.1329  0.9202  0.9200  1
  F  F6  4  0.1374  0.0174  0.4166  1
  F  F7  4  0.1395  0.0937  0.6441  1
  F  F8  4  0.1402  0.3644  0.4956  1
  F  F9  4  0.1486  0.6895  0.9910  1
  F  F10  4  0.1488  0.5069  0.8555  1
  F  F11  4  0.1633  0.1992  0.2286  1
  F  F12  2  0.0000  0.1894  0.0000  1
]