data_Hg2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   6.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2Pb
_chemical_formula_sum   'Hg4 Pb2'
_cell_volume   166.38
_cell_formula_units_Z   2
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
  Hg  Hg0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.0  0.18  1.0
  Hg  Hg2  1  0.75  0.59  0.77  1.0
  Hg  Hg3  1  0.0  0.17  0.59  1.0
  Pb  Pb4  1  0.75  0.59  0.59  1.0
  Pb  Pb5  1  0.0  0.17  0.77  1.0

data_Hg2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   6.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2Pb
_chemical_formula_sum   'Hg4 Pb2'
_cell_volume   166.38
_cell_formula_units_Z   2
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
  Hg  Hg0  1  -0.0  0.17  0.59  1.0
  Hg  Hg1  1  0.0  0.0  0.0  1.0
  Hg  Hg2  1  0.0  0.0  0.18  1.0
  Hg  Hg3  1  0.75  0.59  0.77  1.0
  Pb  Pb4  1  -0.0  0.17  0.77  1.0
  Pb  Pb5  1  0.75  0.59  0.59  1.0

Hg Hg Hg Hg Pb Pb
Hg Hg Hg Hg Pb Pb 0 1 o o o 2 4 o o o 3 5 o o o 