data_HgRh2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   5.59
_cell_angle_alpha   102.64
_cell_angle_beta   102.64
_cell_angle_gamma   43.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgRh2Pb
_chemical_formula_sum   'Hg1 Rh2 Pb1'
_cell_volume   76.92
_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  0.0  1.0
  Rh  Rh2  1  1.0  0.0  0.39  1.0
  Rh  Rh3  1  0.1  0.0  0.04  1.0
  Pb  Pb1  1  0.55  0.0  0.71  1.0

data_HgRh2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   4.53
_cell_length_c   5.59
_cell_angle_alpha   102.64
_cell_angle_beta   90.0
_cell_angle_gamma   111.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgRh2Pb
_chemical_formula_sum   'Hg1 Rh2 Pb1'
_cell_volume   76.92
_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  0.0  1.0
  Rh  Rh1  1  0.0  0.0  0.61  1.0
  Rh  Rh2  1  0.0  0.9  0.96  1.0
  Pb  Pb3  1  0.0  0.45  0.29  1.0

Hg Rh Rh Pb
Hg Rh Rh Pb 0 2 o o o 0 1 - o o 0 3 - o - 1 2 + o o 1 3 + o o 1 3 o o o 2 3 o o - 2 3 - o - 