data_HgIr2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   6.26
_cell_angle_alpha   152.67
_cell_angle_beta   135.06
_cell_angle_gamma   53.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgIr2Pb
_chemical_formula_sum   'Hg1 Ir2 Pb1'
_cell_volume   79.27
_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  0.59  1.0
  Ir  Ir1  1  0.48  0.0  0.38  1.0
  Ir  Ir2  1  0.0  0.0  0.58  1.0
  Pb  Pb3  1  0.48  0.0  0.24  1.0

data_HgIr2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.79
_cell_length_c   6.26
_cell_angle_alpha   112.47
_cell_angle_beta   103.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgIr2Pb
_chemical_formula_sum   'Hg1 Ir2 Pb1'
_cell_volume   79.27
_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  0.59  0.59  1.0
  Ir  Ir1  1  0.0  0.38  0.91  1.0
  Ir  Ir2  1  0.0  0.58  0.58  1.0
  Pb  Pb3  1  0.0  0.24  0.76  1.0

Hg Ir Ir Pb
Hg Ir Ir Pb 0 2 o o o 1 3 o o o 