data_HgBiPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79
_cell_length_b   5.79
_cell_length_c   5.79
_cell_angle_alpha   126.82
_cell_angle_beta   126.82
_cell_angle_gamma   78.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgBiPb2
_chemical_formula_sum   'Hg1 Bi1 Pb2'
_cell_volume   120.53
_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  Hg1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.48  1.0
  Pb  Pb2  1  0.59  0.0  0.24  1.0
  Pb  Pb3  1  0.0  0.59  0.24  1.0

data_HgBiPb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.33
_cell_length_b   7.33
_cell_length_c   5.79
_cell_angle_alpha   90.0
_cell_angle_beta   129.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HgBiPb2
_chemical_formula_sum   'Hg2 Bi2 Pb4'
_cell_volume   241.07
_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  0.0  1.0
  Bi  Bi1  2  0.02  0.5  0.52  1.0
  Pb  Pb2  4  0.05  0.3  0.35  1.0

Hg Bi Pb Pb