data_ReSnBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.29
_cell_length_b   7.29
_cell_length_c   7.29
_cell_angle_alpha   155.22
_cell_angle_beta   155.22
_cell_angle_gamma   35.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSnBr
_chemical_formula_sum   'Re1 Sn1 Br1'
_cell_volume   68.06
_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  0.0  0.0  0.79  1.0
  Sn  Sn2  1  0.0  0.0  0.75  1.0
  Br  Br0  1  0.0  0.0  0.25  1.0

data_ReSnBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   7.29
_cell_angle_alpha   90.0
_cell_angle_beta   107.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ReSnBr
_chemical_formula_sum   'Re2 Sn2 Br2'
_cell_volume   136.12
_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  0.29  0.5  0.79  1.0
  Sn  Sn1  2  0.25  0.5  0.75  1.0
  Br  Br2  2  0.25  0.0  0.25  1.0

Re Sn Br