data_[Re2Ru2Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Ru  2.2000  1.3000  0.6610
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.0371]
_cell_length_b [3.3538]
_cell_length_c [7.1303]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4699]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ReRuBr2]
_chemical_formula_sum '[Re2 Ru2 Br4]'
_cell_volume [202.4660]
_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
[
  Re  Re0  2  0.4802  0.0000  0.3751  1
  Ru  Ru1  2  0.2964  0.5000  0.3749  1
  Br  Br2  2  0.0391  0.0000  0.1113  1
  Br  Br3  2  0.1843  0.0000  0.6387  1
]