data_NaHf2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   3.07
_cell_length_c   10.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHf2Ge
_chemical_formula_sum   'Na1 Hf2 Ge1'
_cell_volume   90.21
_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  Na3  1  0.0  0.0  0.0  1.0
  Hf  Hf1  1  0.64  0.0  0.54  1.0
  Hf  Hf2  1  0.64  0.0  0.08  1.0
  Ge  Ge0  1  0.0  0.0  0.31  1.0

data_NaHf2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   3.07
_cell_length_c   10.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHf2Ge
_chemical_formula_sum   'Na1 Hf2 Ge1'
_cell_volume   90.21
_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  0.0  0.0  1.0
  Hf  Hf1  1  0.64  0.0  0.08  1.0
  Hf  Hf2  1  0.64  0.0  0.54  1.0
  Ge  Ge3  1  0.0  0.0  0.31  1.0

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