data_ReSnBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   3.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSnBr2
_chemical_formula_sum   'Re1 Sn1 Br2'
_cell_volume   97.39
_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  Re2  1  0.32  0.0  0.0  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.66  0.22  0.65  1.0
  Br  Br1  1  0.66  0.78  0.65  1.0

data_ReSnBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   5.55
_cell_length_c   5.55
_cell_angle_alpha   106.45
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSnBr2
_chemical_formula_sum   'Re1 Sn1 Br2'
_cell_volume   97.39
_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  0.32  0.0  1.0
  Sn  Sn1  1  0.0  0.0  0.0  1.0
  Br  Br2  1  0.65  0.66  0.22  1.0
  Br  Br3  1  0.65  0.66  0.78  1.0

Re Sn Br Br
Re Sn Br Br 0 1 o o o 0 2 o o - 0 3 o - - 1 2 - o - 1 3 - - - 2 3 o - o 