data_HgPPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98
_cell_length_b   5.98
_cell_length_c   5.98
_cell_angle_alpha   140.45
_cell_angle_beta   123.29
_cell_angle_gamma   71.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgPPb2
_chemical_formula_sum   'Hg1 P1 Pb2'
_cell_volume   111.73
_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  0.0  0.86  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.02  0.0  1.0  1.0
  Pb  Pb3  1  0.0  0.84  0.86  1.0

data_HgPPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.05
_cell_length_b   5.68
_cell_length_c   5.98
_cell_angle_alpha   118.36
_cell_angle_beta   109.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgPPb2
_chemical_formula_sum   'Hg1 P1 Pb2'
_cell_volume   111.73
_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  0.14  0.14  0.14  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.03  0.0  0.03  1.0
  Pb  Pb3  1  0.14  0.98  0.98  1.0

Hg P Pb Pb