data_[K2Ba8Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ba  0.8900  2.1500  1.4900
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P4_2/n]
_cell_length_a [10.4264]
_cell_length_b [10.4264]
_cell_length_c [6.6750]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [86]
_chemical_formula_structural [K(BaGe)4]
_chemical_formula_sum '[K2 Ba8 Ge8]'
_cell_volume [725.6318]
_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
[
  K  K0  2  0.0000  0.0000  0.0000  1
  Ba  Ba1  8  0.0903  0.3182  0.6435  1
  Ge  Ge2  8  0.1559  0.2698  0.1424  1
]