data_[Ba16Ag2Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ag  1.9300  1.6000  1.0867
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [22.0027]
_cell_length_b [5.5692]
_cell_length_c [8.0927]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9902]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba8AgGe2]
_chemical_formula_sum '[Ba16 Ag2 Ge4]'
_cell_volume [966.2774]
_cell_formula_units_Z [2]
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  0.0437  0.0000  0.7981  1.0
  Ba  Ba1  4  0.0921  0.5000  0.4409  1.0
  Ba  Ba2  4  0.1694  0.5000  0.9671  1.0
  Ba  Ba3  4  0.2108  0.0000  0.3316  1.0
  Ag  Ag4  2  0.0000  0.5000  0.0000  1.0
  Ge  Ge5  4  0.1931  0.0000  0.7277  1.0
]