data_[Cs72Zn12Ge96]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Zn  1.6500  1.3500  0.8800
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [22.2749]
_cell_length_b [23.6186]
_cell_length_c [12.5930]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [Cs6ZnGe8]
_chemical_formula_sum '[Cs72 Zn12 Ge96]'
_cell_volume [6625.2136]
_cell_formula_units_Z [12]
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
[
  Cs  Cs0  16  0.1453  0.1810  0.4780  1
  Cs  Cs1  16  0.1908  0.1708  0.7949  1
  Cs  Cs2  8  0.0000  0.1689  0.2251  1
  Cs  Cs3  8  0.0000  0.1832  0.9113  1
  Cs  Cs4  8  0.1471  0.0000  0.4691  1
  Cs  Cs5  8  0.1865  0.0000  0.8031  1
  Cs  Cs6  4  0.0000  0.0000  0.2424  1
  Cs  Cs7  4  0.0000  0.0000  0.9109  1
  Zn  Zn8  8  0.1668  0.0000  0.1177  1
  Zn  Zn9  4  0.0000  0.0000  0.6138  1
  Ge  Ge10  16  0.0598  0.0929  0.6774  1
  Ge  Ge11  16  0.1118  0.0936  0.0401  1
  Ge  Ge12  16  0.1579  0.0938  0.2354  1
  Ge  Ge13  16  0.1673  0.1806  0.1147  1
  Ge  Ge14  16  0.2297  0.0927  0.0654  1
  Ge  Ge15  8  0.0000  0.0937  0.4927  1
  Ge  Ge16  8  0.0000  0.1798  0.6165  1
]