data_ReCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   8.89
_cell_angle_alpha   123.17
_cell_angle_beta   123.17
_cell_angle_gamma   32.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReCl
_chemical_formula_sum   'Re3 Cl3'
_cell_volume   116.69
_cell_formula_units_Z   3
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  Re3  1  0.43  0.0  0.07  1.0
  Re  Re4  1  0.29  0.0  0.6  1.0
  Re  Re5  1  0.14  0.0  0.99  1.0
  Cl  Cl0  1  0.03  0.0  0.02  1.0
  Cl  Cl1  1  0.03  0.0  0.89  1.0
  Cl  Cl2  1  0.86  0.0  0.26  1.0

data_ReCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   5.47
_cell_length_c   7.46
_cell_angle_alpha   85.36
_cell_angle_beta   78.23
_cell_angle_gamma   73.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReCl
_chemical_formula_sum   'Re3 Cl3'
_cell_volume   116.69
_cell_formula_units_Z   3
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  0.15  0.99  1.0
  Re  Re1  1  0.0  0.35  0.07  1.0
  Re  Re2  1  0.0  0.69  0.6  1.0
  Cl  Cl3  1  0.0  0.01  0.02  1.0
  Cl  Cl4  1  0.0  0.14  0.89  1.0
  Cl  Cl5  1  0.0  0.6  0.26  1.0

Re Re Re Cl Cl Cl