data_[Zn2Ni2Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Ni  1.9100  1.3500  0.7400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.5271]
_cell_length_b [5.6043]
_cell_length_c [5.7817]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0656]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [ZnNiBr]
_chemical_formula_sum '[Zn2 Ni2 Br2]'
_cell_volume [109.8252]
_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
[
  Zn  Zn0  1  0.8628  0.0000  0.8836  1
  Zn  Zn1  1  0.8657  0.5000  0.8816  1
  Ni  Ni2  2  0.2694  0.2536  0.6655  1
  Br  Br3  1  0.3285  0.5000  0.3288  1
  Br  Br4  1  0.8690  0.0000  0.3568  1
]