data_[Ba8Ag8Ge4]
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 [12.3534]
_cell_length_b [4.6894]
_cell_length_c [12.6479]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.3894]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Ag2Ge]
_chemical_formula_sum '[Ba8 Ag8 Ge4]'
_cell_volume [661.9240]
_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  4  0.0943  0.0000  0.8881  1.0
  Ba  Ba1  4  0.2019  0.5000  0.6330  1.0
  Ag  Ag2  4  0.0366  0.0000  0.4068  1.0
  Ag  Ag3  4  0.1095  0.5000  0.1191  1.0
  Ge  Ge4  4  0.0654  0.5000  0.3234  1.0
]