data_InHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.1
_cell_length_b   6.81
_cell_length_c   2.55
_cell_angle_alpha   85.84
_cell_angle_beta   73.14
_cell_angle_gamma   21.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InHg2
_chemical_formula_sum   'In1 Hg2'
_cell_volume   34.65
_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  In2  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.12  0.29  0.5  1.0
  Hg  Hg1  1  0.12  0.29  0.94  1.0

data_InHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.25
_cell_length_b   2.55
_cell_length_c   6.81
_cell_angle_alpha   85.84
_cell_angle_beta   80.51
_cell_angle_gamma   63.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InHg2
_chemical_formula_sum   'In1 Hg2'
_cell_volume   34.65
_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  In0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.06  0.06  0.58  1.0
  Hg  Hg2  1  0.5  0.62  0.58  1.0

In Hg Hg