data_Re5Cl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.35
_cell_length_b   7.35
_cell_length_c   7.35
_cell_angle_alpha   92.17
_cell_angle_beta   92.17
_cell_angle_gamma   157.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re5Cl4
_chemical_formula_sum   'Re5 Cl4'
_cell_volume   148.58
_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  Re4  1  0.0  0.0  0.0  1.0
  Re  Re5  1  0.41  0.59  0.43  1.0
  Re  Re6  1  0.59  0.41  0.43  1.0
  Re  Re7  1  0.51  0.51  0.0  1.0
  Re  Re8  1  0.59  0.59  0.43  1.0
  Cl  Cl0  1  0.0  0.11  0.0  1.0
  Cl  Cl1  1  0.0  0.08  0.0  1.0
  Cl  Cl2  1  0.08  0.0  0.0  1.0
  Cl  Cl3  1  0.11  0.0  0.0  1.0

data_Re5Cl4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.86
_cell_length_b   14.42
_cell_length_c   7.35
_cell_angle_alpha   90.0
_cell_angle_beta   101.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Re5Cl4
_chemical_formula_sum   'Re10 Cl8'
_cell_volume   297.15
_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  4  0.43  0.41  0.43  1.0
  Re  Re1  2  0.0  0.0  0.0  1.0
  Re  Re2  2  0.34  0.5  0.43  1.0
  Re  Re3  2  0.49  0.0  -0.0  1.0
  Cl  Cl4  4  0.45  0.45  -0.0  1.0
  Cl  Cl5  4  0.46  0.46  -0.0  1.0

Re Re Re Re Re Cl Cl Cl Cl
Re Re Re Re Re Cl Cl Cl Cl 0 6 o o o 0 7 o o o 0 3 o o o 0 3 - - o 1 4 o o o 2 4 o o o 3 6 o o o 3 6 + + o 3 5 o o o 3 5 + + o 3 8 o o o 3 8 + + o 3 7 o o o 3 7 + + o 5 6 o o o 7 8 o o o 