data_InHgBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.19
_cell_length_b   9.19
_cell_length_c   9.19
_cell_angle_alpha   25.68
_cell_angle_beta   25.68
_cell_angle_gamma   25.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InHgBr2
_chemical_formula_sum   'In1 Hg1 Br2'
_cell_volume   128.24
_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  0.15  1.0
  Hg  Hg2  1  0.0  0.0  0.18  1.0
  Br  Br0  1  0.0  0.0  0.63  1.0
  Br  Br1  1  0.0  0.0  0.0  1.0

data_InHgBr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.07
_cell_length_b   4.08
_cell_length_c   9.19
_cell_angle_alpha   90.0
_cell_angle_beta   104.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   InHgBr2
_chemical_formula_sum   'In2 Hg2 Br4'
_cell_volume   256.49
_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  0.85  1.0
  Hg  Hg1  2  0.0  0.0  0.82  1.0
  Br  Br2  2  0.0  0.0  0.37  1.0
  Br  Br3  2  0.0  0.0  1.0  1.0

In Hg Br Br
In Hg Br Br 0 1 o o o 0 2 o o o 0 3 o o o 1 2 o o o 1 3 o o o 2 2 o + - 2 2 + - o 2 2 + o - 2 3 + o o 2 3 o + o 2 3 o o + 