data_In2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.86
_cell_length_b   8.86
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   158.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2Hg
_chemical_formula_sum   'In4 Hg2'
_cell_volume   160.34
_cell_formula_units_Z   2
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  0.67  0.27  0.13  1.0
  In  In3  1  0.67  0.87  0.13  1.0
  In  In4  1  0.67  0.13  0.38  1.0
  In  In5  1  0.67  0.73  0.38  1.0
  Hg  Hg0  1  0.67  0.07  0.13  1.0
  Hg  Hg1  1  0.67  0.93  0.38  1.0

data_In2Hg
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.35
_cell_length_b   5.51
_cell_length_c   8.86
_cell_angle_alpha   90.0
_cell_angle_beta   100.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   In2Hg
_chemical_formula_sum   'In4 Hg2'
_cell_volume   160.34
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.13  0.38  0.13  1.0
  In  In1  2  0.27  0.62  0.27  1.0
  Hg  Hg2  2  0.07  0.62  0.07  1.0

In In In In Hg Hg