data_GaHgPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.08
_cell_length_b   7.08
_cell_length_c   7.08
_cell_angle_alpha   152.22
_cell_angle_beta   152.22
_cell_angle_gamma   39.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaHgPb
_chemical_formula_sum   'Ga1 Hg1 Pb1'
_cell_volume   77.07
_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
  Ga  Ga0  1  0.0  0.0  0.23  1.0
  Hg  Hg1  1  0.0  0.0  0.63  1.0
  Pb  Pb2  1  0.0  0.0  0.79  1.0

data_GaHgPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   7.08
_cell_angle_alpha   90.0
_cell_angle_beta   109.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaHgPb
_chemical_formula_sum   'Ga2 Hg2 Pb2'
_cell_volume   154.15
_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
  Ga  Ga0  2  0.23  0.0  0.23  1.0
  Hg  Hg1  2  0.13  0.5  0.63  1.0
  Pb  Pb2  2  0.29  0.5  0.79  1.0

Ga Hg Pb
Ga Hg Pb 0 0 + o + 0 0 o + + 0 2 o o - 0 1 o o o 1 2 o o o 