data_ReSnCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.79
_cell_length_b   11.79
_cell_length_c   11.79
_cell_angle_alpha   15.6
_cell_angle_beta   15.6
_cell_angle_gamma   15.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSnCl2
_chemical_formula_sum   'Re1 Sn1 Cl2'
_cell_volume   103.41
_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  0.0  0.0  0.47  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.0  0.0  0.46  1.0
  Cl  Cl1  1  0.0  0.0  0.48  1.0

data_ReSnCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.55
_cell_length_b   3.2
_cell_length_c   11.79
_cell_angle_alpha   90.0
_cell_angle_beta   99.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ReSnCl2
_chemical_formula_sum   'Re2 Sn2 Cl4'
_cell_volume   206.83
_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  0.53  1.0
  Sn  Sn1  2  0.0  0.0  0.0  1.0
  Cl  Cl2  2  0.0  0.0  0.52  1.0
  Cl  Cl3  2  0.0  0.0  0.54  1.0

Re Sn Cl Cl
Re Sn Cl Cl 0 2 o o o 0 3 o o o 1 1 o + - 1 1 + - o 1 1 + o - 