data_HgPPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47
_cell_length_b   6.47
_cell_length_c   6.47
_cell_angle_alpha   147.96
_cell_angle_beta   147.96
_cell_angle_gamma   45.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgPPb
_chemical_formula_sum   'Hg1 P1 Pb1'
_cell_volume   76.03
_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  0.7  1.0
  P  P1  1  0.0  0.0  0.85  1.0
  Pb  Pb2  1  0.0  0.0  0.28  1.0

data_HgPPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   6.47
_cell_angle_alpha   90.0
_cell_angle_beta   112.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HgPPb
_chemical_formula_sum   'Hg2 P2 Pb2'
_cell_volume   152.05
_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
  Hg  Hg0  2  0.0  0.0  0.3  1.0
  P  P1  2  0.0  0.0  0.15  1.0
  Pb  Pb2  2  0.0  0.0  0.72  1.0

Hg P Pb