data_[Bi6N6]
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
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [18.3133]
_cell_length_b [13.4225]
_cell_length_c [6.7629]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [BiN]
_chemical_formula_sum '[Bi6 N6]'
_cell_volume [1662.4021]
_cell_formula_units_Z [6]
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  0.4095  0.3359  0.2506  1
  Bi  Bi1  2  0.5000  0.5000  0.0000  1
  N  N2  4  0.4704  0.0091  0.5047  1
  N  N3  2  0.5000  0.2390  0.2500  1
]