data_CdReCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   3.16
_cell_length_c   10.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   124.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdReCl2
_chemical_formula_sum   'Cd1 Re1 Cl2'
_cell_volume   84.33
_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
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.0  0.0  0.13  1.0
  Cl  Cl1  1  0.47  0.0  0.22  1.0
  Cl  Cl2  1  0.47  0.0  0.04  1.0

data_CdReCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   3.16
_cell_length_c   10.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdReCl2
_chemical_formula_sum   'Cd1 Re1 Cl2'
_cell_volume   84.33
_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
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.0  0.0  0.13  1.0
  Cl  Cl2  1  0.0  0.47  0.04  1.0
  Cl  Cl3  1  0.0  0.47  0.22  1.0

Cd Re Cl Cl
Cd Re Cl Cl 0 3 o o o 0 3 - o o 0 1 o o o 1 2 o o o 1 2 - o o 1 3 o o o 1 3 - o o 2 3 o o o 