data_[Re2Sb4Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Sb  2.0500  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.5202]
_cell_length_b [3.4614]
_cell_length_c [6.9420]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3638]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ReSb2Br]
_chemical_formula_sum '[Re2 Sb4 Br2]'
_cell_volume [217.1137]
_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  0.2197  0.0000  0.8761  1
  Sb  Sb1  2  0.2729  0.5000  0.1918  1
  Sb  Sb2  2  0.4312  0.5000  0.8783  1
  Br  Br3  2  0.0762  0.5000  0.5538  1
]