data_InHgCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.71
_cell_length_b   8.71
_cell_length_c   8.71
_cell_angle_alpha   26.63
_cell_angle_beta   26.63
_cell_angle_gamma   26.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InHgCl2
_chemical_formula_sum   'In1 Hg1 Cl2'
_cell_volume   117.14
_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
  In  In3  1  0.0  0.0  0.2  1.0
  Hg  Hg2  1  0.0  0.0  0.68  1.0
  Cl  Cl0  1  0.0  0.0  0.59  1.0
  Cl  Cl1  1  0.0  0.0  0.52  1.0

data_InHgCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.95
_cell_length_b   4.01
_cell_length_c   8.71
_cell_angle_alpha   90.0
_cell_angle_beta   105.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   InHgCl2
_chemical_formula_sum   'In2 Hg2 Cl4'
_cell_volume   234.28
_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
  In  In0  2  0.0  0.0  0.8  1.0
  Hg  Hg1  2  -0.0  0.0  0.32  1.0
  Cl  Cl2  2  -0.0  0.0  0.41  1.0
  Cl  Cl3  2  -0.0  0.0  0.48  1.0

In Hg Cl Cl
In Hg Cl Cl 0 3 o o o 0 2 o o o 1 2 o o o 2 3 o o o 