data_[Ba4Al8Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Al  1.6100  1.2500  0.6750
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.2483]
_cell_length_b [4.3395]
_cell_length_c [11.0525]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Ba(AlGe)2]
_chemical_formula_sum '[Ba4 Al8 Ge8]'
_cell_volume [491.5280]
_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  4  0.2479  0.2500  0.1749  1.0
  Al  Al1  4  0.0426  0.2500  0.8817  1.0
  Al  Al2  4  0.0994  0.2500  0.4535  1.0
  Ge  Ge3  4  0.0261  0.7500  0.3430  1.0
  Ge  Ge4  4  0.1460  0.7500  0.9593  1.0
]