data_IrPbAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   131.86
_cell_angle_beta   131.86
_cell_angle_gamma   70.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrPbAu2
_chemical_formula_sum   'Ir1 Pb1 Au2'
_cell_volume   76.19
_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
  Ir  Ir2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.12  0.0  0.12  1.0
  Au  Au0  1  0.0  0.0  0.24  1.0
  Au  Au1  1  0.0  0.12  0.12  1.0

data_IrPbAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   5.19
_cell_angle_alpha   114.07
_cell_angle_beta   114.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrPbAu2
_chemical_formula_sum   'Ir1 Pb1 Au2'
_cell_volume   76.19
_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
  Ir  Ir0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.12  0.0  0.0  1.0
  Au  Au2  1  0.0  0.12  0.0  1.0
  Au  Au3  1  0.24  0.24  0.24  1.0

Ir Pb Au Au
Ir Pb Au Au 0 3 o o o 0 1 o o o 0 2 o o o 1 2 o o o 2 3 o o o 