data_Ge2IrPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.33
_cell_length_b   4.33
_cell_length_c   5.23
_cell_angle_alpha   100.68
_cell_angle_beta   100.68
_cell_angle_gamma   40.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2IrPd
_chemical_formula_sum   'Ge2 Ir1 Pd1'
_cell_volume   62.64
_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  0.86  0.0  0.37  1.0
  Ge  Ge1  1  0.23  0.0  0.76  1.0
  Ir  Ir2  1  0.55  0.0  0.56  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

data_Ge2IrPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   4.33
_cell_length_c   5.23
_cell_angle_alpha   100.68
_cell_angle_beta   90.0
_cell_angle_gamma   110.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2IrPd
_chemical_formula_sum   'Ge2 Ir1 Pd1'
_cell_volume   62.64
_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  0.14  0.63  1.0
  Ge  Ge1  1  0.0  0.77  0.24  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.45  0.44  1.0

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