data_InHg2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.62
_cell_length_b   7.62
_cell_length_c   7.62
_cell_angle_alpha   33.72
_cell_angle_beta   33.72
_cell_angle_gamma   33.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InHg2Cl
_chemical_formula_sum   'In1 Hg2 Cl1'
_cell_volume   121.56
_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  0.77  1.0
  Hg  Hg1  1  0.0  0.0  0.4  1.0
  Hg  Hg2  1  0.0  0.0  0.15  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_InHg2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.66
_cell_length_b   4.42
_cell_length_c   7.62
_cell_angle_alpha   90.0
_cell_angle_beta   109.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   InHg2Cl
_chemical_formula_sum   'In2 Hg4 Cl2'
_cell_volume   243.11
_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  0.23  1.0
  Hg  Hg1  2  0.0  0.0  0.6  1.0
  Hg  Hg2  2  0.0  0.0  0.85  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

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