data_La2HgPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   7.13
_cell_angle_alpha   102.89
_cell_angle_beta   102.89
_cell_angle_gamma   45.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2HgPb
_chemical_formula_sum   'La2 Hg1 Pb1'
_cell_volume   137.05
_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
  La  La1  1  0.11  0.0  0.2  1.0
  La  La2  1  0.88  0.0  0.72  1.0
  Hg  Hg0  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  1.0  0.0  0.46  1.0

data_La2HgPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.08
_cell_length_b   5.27
_cell_length_c   7.13
_cell_angle_alpha   102.89
_cell_angle_beta   90.0
_cell_angle_gamma   112.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2HgPb
_chemical_formula_sum   'La2 Hg1 Pb1'
_cell_volume   137.05
_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
  La  La0  1  0.0  0.12  0.28  1.0
  La  La1  1  0.0  0.89  0.8  1.0
  Hg  Hg2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.54  1.0

La La Hg Pb