data_[Ba8Al4Ge8]
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 [C2/m]
_cell_length_a [12.6745]
_cell_length_b [4.4046]
_cell_length_c [11.8506]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6730]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2AlGe2]
_chemical_formula_sum '[Ba8 Al4 Ge8]'
_cell_volume [630.3429]
_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  0.0932  0.0000  0.9106  1
  Ba  Ba1  4  0.1971  0.5000  0.6412  1
  Al  Al2  4  0.0748  0.5000  0.3197  1
  Ge  Ge3  4  0.0360  0.0000  0.4095  1
  Ge  Ge4  4  0.1449  0.5000  0.1466  1
]