data_[Al2Ni2Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Ni  1.9100  1.3500  0.7400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.4185]
_cell_length_b [3.4646]
_cell_length_c [4.9035]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.3246]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [AlNiBr2]
_chemical_formula_sum '[Al2 Ni2 Br4]'
_cell_volume [193.1494]
_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
[
  Al  Al0  2  0.2414  0.5000  0.2936  1
  Ni  Ni1  2  0.3765  0.0000  0.2236  1
  Br  Br2  2  0.0553  0.0000  0.2544  1
  Br  Br3  2  0.3268  0.0000  0.7285  1
]