data_GePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.0
_cell_length_b   4.0
_cell_length_c   6.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GePd
_chemical_formula_sum   'Ge2 Pd2'
_cell_volume   89.93
_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  0.0  0.16  0.22  1.0
  Ge  Ge1  1  0.0  0.31  0.45  1.0
  Pd  Pd2  1  0.0  0.16  0.67  1.0
  Pd  Pd3  1  0.0  0.31  0.43  1.0

data_GePd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.0
_cell_length_b   6.93
_cell_length_c   6.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GePd
_chemical_formula_sum   'Ge4 Pd4'
_cell_volume   179.86
_cell_formula_units_Z   4
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  0.15  0.0  0.22  1.0
  Ge  Ge1  2  0.31  0.0  0.45  1.0
  Pd  Pd2  2  0.15  0.0  0.67  1.0
  Pd  Pd3  2  0.31  0.0  0.43  1.0

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