data_NaAl2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96
_cell_length_b   5.96
_cell_length_c   2.82
_cell_angle_alpha   103.4
_cell_angle_beta   103.4
_cell_angle_gamma   120.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAl2Ge
_chemical_formula_sum   'Na1 Al2 Ge1'
_cell_volume   76.64
_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
  Al  Al0  1  0.83  0.59  0.25  1.0
  Al  Al1  1  0.83  0.41  0.25  1.0
  Ge  Ge2  1  0.97  0.0  0.0  1.0

data_NaAl2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   5.25
_cell_length_c   5.96
_cell_angle_alpha   115.95
_cell_angle_beta   103.4
_cell_angle_gamma   90.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAl2Ge
_chemical_formula_sum   'Na1 Al2 Ge1'
_cell_volume   76.64
_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
  Al  Al1  1  0.66  0.41  0.24  1.0
  Al  Al2  1  0.84  0.59  0.41  1.0
  Ge  Ge3  1  0.0  0.0  0.97  1.0

Na Al Al Ge