data_[Re4Ni4Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Ni  1.9100  1.3500  0.7400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [2.8950]
_cell_length_b [5.0183]
_cell_length_c [13.2925]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [ReNiBr]
_chemical_formula_sum '[Re4 Ni4 Br4]'
_cell_volume [193.1152]
_cell_formula_units_Z [4]
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
[
  Re  Re0  4  0.0000  0.0000  0.6810  1
  Ni  Ni1  4  0.0000  0.0000  0.3273  1
  Br  Br2  4  0.0000  0.0000  0.9918  1
]