data_Ir3Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   5.71
_cell_angle_alpha   151.18
_cell_angle_beta   129.81
_cell_angle_gamma   58.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir3Pb
_chemical_formula_sum   'Ir3 Pb1'
_cell_volume   68.49
_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  0.42  0.0  0.32  1.0
  Ir  Ir1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.0  0.42  0.65  1.0
  Pb  Pb3  1  0.0  0.0  0.97  1.0

data_Ir3Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   4.84
_cell_length_c   5.71
_cell_angle_alpha   115.09
_cell_angle_beta   104.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir3Pb
_chemical_formula_sum   'Ir3 Pb1'
_cell_volume   68.49
_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
  Ir  Ir1  1  0.1  0.68  0.1  1.0
  Ir  Ir2  1  0.35  0.77  0.77  1.0
  Pb  Pb3  1  0.03  0.03  0.03  1.0

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