data_In2HgBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.24
_cell_length_b   6.24
_cell_length_c   6.24
_cell_angle_alpha   143.9
_cell_angle_beta   124.24
_cell_angle_gamma   68.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2HgBr
_chemical_formula_sum   'In2 Hg1 Br1'
_cell_volume   116.61
_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  0.93  0.0  0.57  1.0
  In  In3  1  0.0  0.92  0.6  1.0
  Hg  Hg1  1  0.0  0.0  0.17  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_In2HgBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   5.84
_cell_length_c   6.24
_cell_angle_alpha   117.88
_cell_angle_beta   108.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2HgBr
_chemical_formula_sum   'In2 Hg1 Br1'
_cell_volume   116.61
_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  0.57  0.64  1.0
  In  In1  1  0.08  0.68  0.68  1.0
  Hg  Hg2  1  0.0  0.17  0.17  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

In In Hg Br