data_GePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   4.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   145.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GePd
_chemical_formula_sum   'Ge2 Pd2'
_cell_volume   65.77
_cell_formula_units_Z   2
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  0.54  0.44  0.21  1.0
  Ge  Ge1  1  0.54  0.56  0.07  1.0
  Pd  Pd2  1  0.54  0.07  0.21  1.0
  Pd  Pd3  1  0.54  0.93  0.07  1.0

data_GePd
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.08
_cell_length_b   4.27
_cell_length_c   5.23
_cell_angle_alpha   90.0
_cell_angle_beta   107.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   GePd
_chemical_formula_sum   'Ge2 Pd2'
_cell_volume   65.77
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.44  0.43  0.44  1.0
  Pd  Pd1  2  0.07  0.43  0.07  1.0

Ge Ge Pd Pd
Ge Ge Pd Pd 0 1 o o o 2 3 o - o 