data_HgPdPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.91
_cell_length_b   3.91
_cell_length_c   8.7
_cell_angle_alpha   100.69
_cell_angle_beta   100.69
_cell_angle_gamma   55.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgPdPb2
_chemical_formula_sum   'Hg1 Pd1 Pb2'
_cell_volume   107.74
_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
  Hg  Hg0  1  0.55  0.0  0.26  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.7  0.0  0.77  1.0
  Pb  Pb2  1  0.39  0.0  0.74  1.0

data_HgPdPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.66
_cell_length_b   3.91
_cell_length_c   8.7
_cell_angle_alpha   100.69
_cell_angle_beta   90.0
_cell_angle_gamma   117.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgPdPb2
_chemical_formula_sum   'Hg1 Pd1 Pb2'
_cell_volume   107.74
_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
  Hg  Hg0  1  0.0  0.45  0.74  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.0  0.3  0.23  1.0
  Pb  Pb3  1  0.0  0.61  0.26  1.0

Hg Pd Pb Pb