data_In2HgSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.58
_cell_length_b   6.58
_cell_length_c   6.58
_cell_angle_alpha   142.07
_cell_angle_beta   142.07
_cell_angle_gamma   54.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2HgSe
_chemical_formula_sum   'In2 Hg1 Se1'
_cell_volume   107.07
_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  In1  1  0.0  0.0  0.85  1.0
  In  In2  1  0.0  0.14  0.92  1.0
  Hg  Hg0  1  0.14  0.0  0.92  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_In2HgSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.28
_cell_length_b   4.28
_cell_length_c   6.58
_cell_angle_alpha   108.97
_cell_angle_beta   108.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2HgSe
_chemical_formula_sum   'In2 Hg1 Se1'
_cell_volume   107.07
_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  0.78  0.92  0.78  1.0
  In  In1  1  0.85  0.85  0.85  1.0
  Hg  Hg2  1  0.92  0.78  0.78  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

In In Hg Se