data_HgWCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.1
_cell_length_b   11.1
_cell_length_c   11.1
_cell_angle_alpha   16.32
_cell_angle_beta   16.32
_cell_angle_gamma   16.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgWCl2
_chemical_formula_sum   'Hg1 W1 Cl2'
_cell_volume   94.09
_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
  Hg  Hg2  1  0.0  0.0  0.42  1.0
  W  W3  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.0  0.0  0.21  1.0
  Cl  Cl1  1  0.0  0.0  0.63  1.0

data_HgWCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.46
_cell_length_b   3.15
_cell_length_c   11.1
_cell_angle_alpha   90.0
_cell_angle_beta   99.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HgWCl2
_chemical_formula_sum   'Hg2 W2 Cl4'
_cell_volume   188.18
_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
  Hg  Hg0  2  -0.0  0.0  0.58  1.0
  W  W1  2  -0.0  0.0  0.0  1.0
  Cl  Cl2  2  -0.0  0.0  0.79  1.0
  Cl  Cl3  2  -0.0  0.0  0.37  1.0

Hg W Cl Cl