data_[Na8Ga20Ge12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ga  1.8100  1.3000  0.7600
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [10.6582]
_cell_length_b [13.2467]
_cell_length_c [6.2037]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Na2Ga5Ge3]
_chemical_formula_sum '[Na8 Ga20 Ge12]'
_cell_volume [875.8770]
_cell_formula_units_Z [4]
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  8  0.2457  0.1242  0.5000  1.0
  Ga  Ga1  8  0.0000  0.2572  0.2500  1.0
  Ga  Ga2  8  0.1266  0.1276  0.0000  1.0
  Ga  Ga3  4  0.0000  0.5000  0.2500  1.0
  Ge  Ge4  8  0.1355  0.3783  0.5000  1.0
  Ge  Ge5  4  0.0000  0.0000  0.2500  1.0
]