data_Ga2HgPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42
_cell_length_b   4.04
_cell_length_c   6.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2HgPb
_chemical_formula_sum   'Ga2 Hg1 Pb1'
_cell_volume   95.81
_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
  Ga  Ga1  1  0.71  0.02  0.65  1.0
  Hg  Hg2  1  0.0  0.0  0.23  1.0
  Pb  Pb3  1  0.71  0.02  0.29  1.0

data_Ga2HgPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   4.04
_cell_length_c   6.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2HgPb
_chemical_formula_sum   'Ga2 Hg1 Pb1'
_cell_volume   95.81
_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
  Ga  Ga1  1  0.71  0.02  0.65  1.0
  Hg  Hg2  1  0.0  0.0  0.23  1.0
  Pb  Pb3  1  0.71  0.02  0.29  1.0

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