data_NaGePd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   4.7
_cell_angle_alpha   103.48
_cell_angle_beta   103.48
_cell_angle_gamma   34.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaGePd2
_chemical_formula_sum   'Na1 Ge1 Pd2'
_cell_volume   66.54
_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
  Na  Na1  1  0.05  0.0  0.98  1.0
  Ge  Ge0  1  0.37  0.0  0.6  1.0
  Pd  Pd2  1  0.63  0.0  0.06  1.0
  Pd  Pd3  1  0.54  0.0  0.2  1.0

data_NaGePd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   4.7
_cell_length_c   5.09
_cell_angle_alpha   103.48
_cell_angle_beta   107.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaGePd2
_chemical_formula_sum   'Na1 Ge1 Pd2'
_cell_volume   66.54
_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
  Na  Na0  1  0.0  0.98  0.05  1.0
  Ge  Ge1  1  0.0  0.6  0.37  1.0
  Pd  Pd2  1  0.0  0.06  0.63  1.0
  Pd  Pd3  1  0.0  0.2  0.54  1.0

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