data_InGaHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97
_cell_length_b   5.97
_cell_length_c   5.97
_cell_angle_alpha   136.56
_cell_angle_beta   136.56
_cell_angle_gamma   63.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGaHg2
_chemical_formula_sum   'In1 Ga1 Hg2'
_cell_volume   99.3
_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  0.21  0.54  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.21  0.0  0.54  1.0
  Hg  Hg2  1  0.0  0.0  0.09  1.0

data_InGaHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   5.97
_cell_angle_alpha   111.72
_cell_angle_beta   111.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGaHg2
_chemical_formula_sum   'In1 Ga1 Hg2'
_cell_volume   99.3
_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  0.67  0.21  0.67  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Hg  Hg2  1  0.46  0.0  0.67  1.0
  Hg  Hg3  1  0.91  0.0  0.91  1.0

In Ga Hg Hg