data_[Bi8N4]
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_1/c]
_cell_length_a [6.6748]
_cell_length_b [7.0174]
_cell_length_c [6.6104]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.3131]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Bi2N]
_chemical_formula_sum '[Bi8 N4]'
_cell_volume [279.8997]
_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  0.1268  0.6408  0.3702  1
  Bi  Bi1  4  0.3759  0.1747  0.6451  1
  N  N2  4  0.2298  0.0373  0.1907  1
]