data_Ge2PPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28
_cell_length_b   4.28
_cell_length_c   5.56
_cell_angle_alpha   108.87
_cell_angle_beta   108.87
_cell_angle_gamma   47.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2PPd
_chemical_formula_sum   'Ge2 P1 Pd1'
_cell_volume   70.76
_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  0.93  0.0  0.22  1.0
  Ge  Ge1  1  0.38  0.0  0.75  1.0
  P  P2  1  0.09  0.0  0.38  1.0
  Pd  Pd3  1  0.38  0.0  0.45  1.0

data_Ge2PPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   4.28
_cell_length_c   5.56
_cell_angle_alpha   108.87
_cell_angle_beta   90.0
_cell_angle_gamma   114.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2PPd
_chemical_formula_sum   'Ge2 P1 Pd1'
_cell_volume   70.76
_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  0.07  0.78  1.0
  Ge  Ge1  1  0.0  0.62  0.25  1.0
  P  P2  1  0.0  0.91  0.62  1.0
  Pd  Pd3  1  0.0  0.62  0.55  1.0

Ge Ge P Pd