data_ReCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53
_cell_length_b   6.53
_cell_length_c   6.53
_cell_angle_alpha   152.77
_cell_angle_beta   152.77
_cell_angle_gamma   38.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReCl2
_chemical_formula_sum   'Re1 Cl2'
_cell_volume   58.19
_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  0.0  1.0
  Cl  Cl0  1  0.0  0.0  0.61  1.0
  Cl  Cl1  1  0.0  0.0  0.7  1.0

data_ReCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   6.53
_cell_angle_alpha   90.0
_cell_angle_beta   109.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ReCl2
_chemical_formula_sum   'Re2 Cl4'
_cell_volume   116.39
_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  0.0  1.0
  Cl  Cl1  2  0.0  0.0  0.3  1.0
  Cl  Cl2  2  0.0  0.0  0.39  1.0

Re Cl Cl
Re Cl Cl 0 2 o o - 1 2 o o o 