data_[Ba16Zn24Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zn  1.6500  1.3500  0.8800
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [9.2408]
_cell_length_b [9.4743]
_cell_length_c [15.5840]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Ba2Zn3Ge]
_chemical_formula_sum '[Ba16 Zn24 Ge8]'
_cell_volume [1364.3649]
_cell_formula_units_Z [8]
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  0.0000  0.2326  0.0000  1.0
  Ba  Ba1  8  0.2500  0.2500  0.2500  1.0
  Zn  Zn2  16  0.2398  0.0000  0.4161  1.0
  Zn  Zn3  8  0.0000  0.0000  0.1714  1.0
  Ge  Ge4  8  0.0000  0.0000  0.3358  1.0
]