data_[Ni2Sn2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.0323]
_cell_length_b [3.9369]
_cell_length_c [7.2571]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5014]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NiSnBr4]
_chemical_formula_sum '[Ni2 Sn2 Br8]'
_cell_volume [389.8310]
_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  0.0000  0.0000  0.5000  1
  Sn  Sn1  2  0.0000  0.5000  0.0000  1
  Br  Br2  4  0.1044  0.5000  0.4118  1
  Br  Br3  4  0.1162  0.0000  0.8321  1
]