data_[Bi8N8Cl16F48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [9.9045]
_cell_length_b [10.8133]
_cell_length_c [11.1244]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [BiN(ClF3)2]
_chemical_formula_sum '[Bi8 N8 Cl16 F48]'
_cell_volume [1191.4181]
_cell_formula_units_Z [8]
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  8  0.0000  0.2001  0.5669  1
  N  N1  8  0.2500  0.0348  0.2500  1
  Cl  Cl2  16  0.1788  0.0442  0.8550  1
  F  F3  16  0.1363  0.2442  0.1892  1
  F  F4  16  0.1537  0.1540  0.4565  1
  F  F5  8  0.0000  0.0288  0.6418  1
  F  F6  8  0.0000  0.1278  0.9881  1
]