data_[Bi4S4N4]
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 [P2_1/c]
_cell_length_a [9.3391]
_cell_length_b [5.0780]
_cell_length_c [8.9906]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.6270]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [BiSN]
_chemical_formula_sum '[Bi4 S4 N4]'
_cell_volume [421.5465]
_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  0.3973  0.1901  0.0681  1
  S  S1  4  0.3677  0.5904  0.8142  1
  N  N2  4  0.0236  0.0982  0.4895  1
]