data_[Bi4N4Cl8]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.1867]
_cell_length_b [4.0653]
_cell_length_c [8.7070]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.2116]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BiNCl2]
_chemical_formula_sum '[Bi4 N4 Cl8]'
_cell_volume [533.3111]
_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
[
  Bi  Bi0  4  0.1247  0.5000  0.3093  1
  N  N1  4  0.1217  0.5000  0.0530  1
  Cl  Cl2  4  0.0016  0.0000  0.2662  1
  Cl  Cl3  4  0.2488  0.0000  0.3038  1
]