data_[Bi2N2Cl1]
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 [P-1]
_cell_length_a [4.2321]
_cell_length_b [6.5304]
_cell_length_c [7.9853]
_cell_angle_alpha [92.6493]
_cell_angle_beta [104.7948]
_cell_angle_gamma [107.3214]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Bi2N2Cl]
_chemical_formula_sum '[Bi2 N2 Cl1]'
_cell_volume [201.9028]
_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  2  0.2812  0.4405  0.1216  1
  N  N1  2  0.0207  0.0882  0.5134  1
  Cl  Cl2  1  0.0000  0.0000  0.0000  1
]