data_Ag2GePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   4.74
_cell_angle_alpha   125.46
_cell_angle_beta   125.46
_cell_angle_gamma   80.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2GePd
_chemical_formula_sum   'Ag2 Ge1 Pd1'
_cell_volume   68.29
_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
  Ag  Ag0  1  0.0  0.0  0.61  1.0
  Ag  Ag1  1  0.0  0.17  0.81  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.17  0.0  0.81  1.0

data_Ag2GePd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   4.74
_cell_angle_alpha   117.27
_cell_angle_beta   117.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2GePd
_chemical_formula_sum   'Ag2 Ge1 Pd1'
_cell_volume   68.29
_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
  Ag  Ag0  1  0.61  0.61  0.61  1.0
  Ag  Ag1  1  0.63  0.81  0.63  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.81  0.63  0.63  1.0

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