data_Ge4Pd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.04
_cell_length_b   10.04
_cell_length_c   10.04
_cell_angle_alpha   160.12
_cell_angle_beta   160.12
_cell_angle_gamma   28.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge4Pd3
_chemical_formula_sum   'Ge4 Pd3'
_cell_volume   116.96
_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  0.07  1.0
  Ge  Ge1  1  0.0  0.0  0.39  1.0
  Ge  Ge2  1  0.0  0.0  0.08  1.0
  Ge  Ge3  1  0.0  0.0  0.4  1.0
  Pd  Pd4  1  0.0  0.0  0.0  1.0
  Pd  Pd5  1  0.0  0.0  0.72  1.0
  Pd  Pd6  1  0.0  0.0  0.75  1.0

data_Ge4Pd3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   10.04
_cell_angle_alpha   90.0
_cell_angle_beta   104.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ge4Pd3
_chemical_formula_sum   'Ge8 Pd6'
_cell_volume   233.92
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.07  0.0  0.07  1.0
  Ge  Ge1  2  0.08  0.0  0.08  1.0
  Ge  Ge2  2  0.39  0.0  0.39  1.0
  Ge  Ge3  2  0.4  0.0  0.4  1.0
  Pd  Pd4  2  0.0  0.0  0.0  1.0
  Pd  Pd5  2  0.22  0.5  0.72  1.0
  Pd  Pd6  2  0.25  0.5  0.75  1.0

Ge Ge Ge Ge Pd Pd Pd
Ge Ge Ge Ge Pd Pd Pd 0 2 o o o 0 4 o o o 1 3 o o o 5 6 o o o 