data_Hg2IrPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.92
_cell_length_b   4.07
_cell_length_c   5.97
_cell_angle_alpha   90.0
_cell_angle_beta   105.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2IrPb
_chemical_formula_sum   'Hg2 Ir1 Pb1'
_cell_volume   91.79
_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  0.19  0.0  0.26  1.0
  Hg  Hg1  1  0.21  0.04  0.27  1.0
  Ir  Ir2  1  0.54  0.0  0.18  1.0
  Pb  Pb3  1  0.49  0.04  0.9  1.0

data_Hg2IrPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   4.07
_cell_length_c   5.97
_cell_angle_alpha   90.0
_cell_angle_beta   105.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2IrPb
_chemical_formula_sum   'Hg2 Ir1 Pb1'
_cell_volume   91.79
_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  0.19  0.0  0.26  1.0
  Hg  Hg1  1  0.21  0.04  0.27  1.0
  Ir  Ir2  1  0.54  0.0  0.18  1.0
  Pb  Pb3  1  0.49  0.04  0.9  1.0

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