data_[Ba32Ge8Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ge  2.0100  1.2500  0.7700
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [15.9800]
_cell_length_b [16.0719]
_cell_length_c [9.1744]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [Ba4GeCl2]
_chemical_formula_sum '[Ba32 Ge8 Cl16]'
_cell_volume [2356.2525]
_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  16  0.1141  0.4177  0.2485  1
  Ba  Ba1  16  0.1189  0.4128  0.7490  1
  Ge  Ge2  8  0.0000  0.0000  0.5028  1
  Cl  Cl3  16  0.0099  0.2498  0.2478  1
]