data_ReWCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.23
_cell_length_b   6.94
_cell_length_c   2.96
_cell_angle_alpha   83.44
_cell_angle_beta   72.56
_cell_angle_gamma   24.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReWCl
_chemical_formula_sum   'Re1 W1 Cl1'
_cell_volume   52.59
_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  Re1  1  0.53  0.53  0.28  1.0
  W  W2  1  0.53  0.53  0.44  1.0
  Cl  Cl0  1  0.53  0.53  0.37  1.0

data_ReWCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.07
_cell_length_b   13.54
_cell_length_c   2.96
_cell_angle_alpha   90.0
_cell_angle_beta   121.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ReWCl
_chemical_formula_sum   'Re2 W2 Cl2'
_cell_volume   105.19
_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  0.15  0.5  0.18  1.0
  W  W1  2  0.5  0.0  0.03  1.0
  Cl  Cl2  2  0.06  0.5  0.1  1.0

Re W Cl
Re W Cl 0 2 o o o 1 2 o o o 