data_[Bi1S2N1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.8924]
_cell_length_b [4.7517]
_cell_length_c [5.3300]
_cell_angle_alpha [85.1703]
_cell_angle_beta [68.6350]
_cell_angle_gamma [72.2403]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BiS2N]
_chemical_formula_sum '[Bi1 S2 N1]'
_cell_volume [87.3907]
_cell_formula_units_Z [1]
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  1  0.0287  0.3071  0.3063  1
  S  S1  1  0.2719  0.8209  0.6395  1
  S  S2  1  0.8377  0.8830  0.0287  1
  N  N3  1  0.3616  0.4891  0.5255  1
]