data_Ge2IrPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   3.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2IrPb
_chemical_formula_sum   'Ge2 Ir1 Pb1'
_cell_volume   78.74
_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  0.48  0.96  0.63  1.0
  Ge  Ge1  1  0.48  0.04  0.63  1.0
  Ir  Ir2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.96  0.0  0.0  1.0

data_Ge2IrPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   108.19
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2IrPb
_chemical_formula_sum   'Ge2 Ir1 Pb1'
_cell_volume   78.74
_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  0.63  0.48  0.04  1.0
  Ge  Ge1  1  0.63  0.48  0.96  1.0
  Ir  Ir2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.96  0.0  1.0

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