data_GeWCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   4.53
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeWCl2
_chemical_formula_sum   'Ge1 W1 Cl2'
_cell_volume   72.0
_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
  Ge  Ge2  1  0.47  0.26  0.0  1.0
  W  W3  1  0.0  0.26  0.71  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0
  Cl  Cl1  1  0.47  0.0  0.71  1.0

data_GeWCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.53
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeWCl2
_chemical_formula_sum   'Ge1 W1 Cl2'
_cell_volume   72.0
_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
  Ge  Ge0  1  0.47  0.26  0.0  1.0
  W  W1  1  0.0  0.26  0.71  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0
  Cl  Cl3  1  0.47  0.0  0.71  1.0

Ge W Cl Cl
Ge W Cl Cl 0 2 o o o 0 2 + o o 0 1 o o - 0 1 + o - 0 3 o o - 1 3 - o o 1 3 o o o 1 2 o o + 2 3 - o - 2 3 o o - 