data_ReOsBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.02
_cell_length_b   10.02
_cell_length_c   10.02
_cell_angle_alpha   17.43
_cell_angle_beta   17.43
_cell_angle_gamma   17.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReOsBr2
_chemical_formula_sum   'Re1 Os1 Br2'
_cell_volume   78.68
_cell_formula_units_Z   1
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  Re3  1  0.0  0.0  0.18  1.0
  Os  Os2  1  0.0  0.0  0.07  1.0
  Br  Br0  1  0.0  0.0  0.95  1.0
  Br  Br1  1  0.0  0.0  0.76  1.0

data_ReOsBr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.26
_cell_length_b   3.04
_cell_length_c   10.02
_cell_angle_alpha   90.0
_cell_angle_beta   100.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ReOsBr2
_chemical_formula_sum   'Re2 Os2 Br4'
_cell_volume   157.36
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  -0.0  0.0  0.82  1.0
  Os  Os1  2  -0.0  0.0  0.93  1.0
  Br  Br2  2  -0.0  0.0  0.24  1.0
  Br  Br3  2  -0.0  0.0  0.05  1.0

Re Os Br Br