data_[Ni2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [6.2067]
_cell_length_b [7.5919]
_cell_length_c [6.2923]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2219]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [NiBr4]
_chemical_formula_sum '[Ni2 Br8]'
_cell_volume [281.6312]
_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  0.5000  0.3863  0.7500  1.0
  Br  Br1  4  0.2442  0.1648  0.5487  1.0
  Br  Br2  4  0.2781  0.3867  0.0014  1.0
]