data_HgW2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   4.7
_cell_angle_alpha   120.95
_cell_angle_beta   120.95
_cell_angle_gamma   88.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgW2Cl
_chemical_formula_sum   'Hg1 W2 Cl1'
_cell_volume   72.17
_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  Hg1  1  0.31  0.0  0.68  1.0
  W  W2  1  0.0  0.0  0.37  1.0
  W  W3  1  0.0  0.31  0.68  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_HgW2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   4.7
_cell_angle_alpha   119.52
_cell_angle_beta   119.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgW2Cl
_chemical_formula_sum   'Hg1 W2 Cl1'
_cell_volume   72.17
_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  Hg0  1  0.32  0.0  0.63  1.0
  W  W1  1  0.63  0.31  0.63  1.0
  W  W2  1  0.63  0.0  0.63  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Hg W W Cl
Hg W W Cl 0 1 o o o 1 2 o o o 1 3 o o o 