data_InGaHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.68
_cell_length_b   3.68
_cell_length_c   7.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGaHg2
_chemical_formula_sum   'In1 Ga1 Hg2'
_cell_volume   99.48
_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  0.84  0.84  0.77  1.0
  Ga  Ga0  1  0.0  0.0  0.55  1.0
  Hg  Hg1  1  0.84  0.84  0.2  1.0
  Hg  Hg2  1  0.0  0.0  0.81  1.0

data_InGaHg2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   7.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   InGaHg2
_chemical_formula_sum   'In2 Ga2 Hg4'
_cell_volume   198.97
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.34  0.5  0.77  1.0
  Ga  Ga1  2  0.0  0.0  0.55  1.0
  Hg  Hg2  2  0.0  0.0  0.81  1.0
  Hg  Hg3  2  0.34  0.5  0.2  1.0

In Ga Hg Hg
In Ga Hg Hg 0 3 + + o 0 1 + + o 0 2 o o + 1 3 o o o 1 2 - - o 2 3 + + - 