data_Ge3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.55
_cell_length_b   4.68
_cell_length_c   4.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge3Pd
_chemical_formula_sum   'Ge3 Pd1'
_cell_volume   71.87
_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  0.78  0.0  0.01  1.0
  Ge  Ge1  1  0.0  0.0  0.17  1.0
  Ge  Ge2  1  0.0  0.34  0.68  1.0
  Pd  Pd3  1  0.78  0.34  0.35  1.0

data_Ge3Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.55
_cell_length_b   4.33
_cell_length_c   4.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge3Pd
_chemical_formula_sum   'Ge3 Pd1'
_cell_volume   71.87
_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  0.32  0.66  1.0
  Ge  Ge1  1  0.0  0.83  0.0  1.0
  Ge  Ge2  1  0.22  0.99  0.0  1.0
  Pd  Pd3  1  0.22  0.65  0.66  1.0

Ge Ge Ge Pd