data_[Re2Se4Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Se  2.5500  1.1500  1.0133
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.8989]
_cell_length_b [7.3409]
_cell_length_c [7.4443]
_cell_angle_alpha [63.9934]
_cell_angle_beta [67.8475]
_cell_angle_gamma [87.0371]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Re(SeBr)2]
_chemical_formula_sum '[Re2 Se4 Br4]'
_cell_volume [310.8848]
_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  0.0002  0.8909  0.8911  1
  Se  Se1  2  0.1204  0.7727  0.1904  1
  Se  Se2  2  0.3050  0.1263  0.7921  1
  Br  Br3  2  0.2445  0.6968  0.7209  1
  Br  Br4  2  0.2470  0.2122  0.2302  1
]