data_[Ba8Si4Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Si  1.9000  1.1000  0.5400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [7.2247]
_cell_length_b [5.0993]
_cell_length_c [14.2705]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ba2SiGe]
_chemical_formula_sum '[Ba8 Si4 Ge4]'
_cell_volume [525.7424]
_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  2  0.0000  0.0000  0.2413  1
  Ba  Ba1  2  0.0000  0.0000  0.5211  1
  Ba  Ba2  2  0.5000  0.0000  0.0717  1
  Ba  Ba3  2  0.5000  0.0000  0.3478  1
  Si  Si4  4  0.3299  0.0000  0.7117  1
  Ge  Ge5  4  0.1812  0.0000  0.8793  1
]