data_GeIr2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   3.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   100.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeIr2Pb
_chemical_formula_sum   'Ge1 Ir2 Pb1'
_cell_volume   69.7
_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
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.53  0.84  0.55  1.0
  Ir  Ir2  1  0.53  0.16  0.55  1.0
  Pb  Pb3  1  0.06  0.0  0.0  1.0

data_GeIr2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.78
_cell_length_c   4.78
_cell_angle_alpha   100.45
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeIr2Pb
_chemical_formula_sum   'Ge1 Ir2 Pb1'
_cell_volume   69.7
_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
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.55  0.53  0.16  1.0
  Ir  Ir2  1  0.55  0.53  0.84  1.0
  Pb  Pb3  1  0.0  0.06  0.0  1.0

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