data_[Ba8Na4Al4Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  Al  1.6100  1.2500  0.6750
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [7.0733]
_cell_length_b [15.1033]
_cell_length_c [6.6603]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Ba2NaAlGe2]
_chemical_formula_sum '[Ba8 Na4 Al4 Ge8]'
_cell_volume [711.5212]
_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
[
  Ba  Ba0  8  0.2405  0.3344  0.5000  1.0
  Na  Na1  4  0.0000  0.0000  0.2500  1.0
  Al  Al2  4  0.0000  0.5000  0.2500  1.0
  Ge  Ge3  8  0.2099  0.3989  0.0000  1.0
]