data_ReSb2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   3.35
_cell_length_c   8.22
_cell_angle_alpha   90.0
_cell_angle_beta   97.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSb2Br
_chemical_formula_sum   'Re1 Sb2 Br1'
_cell_volume   91.63
_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  Re1  1  0.47  0.0  0.07  1.0
  Sb  Sb2  1  0.15  0.68  0.68  1.0
  Sb  Sb3  1  0.14  0.68  0.47  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_ReSb2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   3.36
_cell_length_c   8.22
_cell_angle_alpha   97.43
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSb2Br
_chemical_formula_sum   'Re1 Sb2 Br1'
_cell_volume   91.63
_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  Re0  1  0.0  0.53  0.93  1.0
  Sb  Sb1  1  0.32  0.85  0.32  1.0
  Sb  Sb2  1  0.32  0.86  0.53  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Re Sb Sb Br