data_[Ni2Bi2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Bi  2.0200  1.6000  1.0350
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.0746]
_cell_length_b [4.2579]
_cell_length_c [20.0760]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NiBiCl4]
_chemical_formula_sum '[Ni2 Bi2 Cl8]'
_cell_volume [946.6719]
_cell_formula_units_Z [2]
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
[
  Ni  Ni0  2  0.3934  0.2500  0.9710  1
  Bi  Bi1  2  0.1968  0.7500  0.0181  1
  Cl  Cl2  2  0.0587  0.2500  0.0678  1
  Cl  Cl3  2  0.2243  0.2500  0.9126  1
  Cl  Cl4  2  0.3049  0.7500  0.1264  1
  Cl  Cl5  2  0.4634  0.7500  0.9460  1
]