data_[K4Ca4Ge4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ca  1.0000  1.8000  1.1400
  Ge  2.0100  1.2500  0.7700
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.8811]
_cell_length_b [11.1219]
_cell_length_c [10.2071]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.6397]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KCaGeCl5]
_chemical_formula_sum '[K4 Ca4 Ge4 Cl20]'
_cell_volume [1019.5853]
_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
[
  K  K0  4  0.0000  0.4281  0.2500  1.0
  Ca  Ca1  4  0.2500  0.2500  0.0000  1.0
  Ge  Ge2  4  0.0000  0.0184  0.2500  1.0
  Cl  Cl3  8  0.0366  0.1709  0.0984  1.0
  Cl  Cl4  8  0.2118  0.4791  0.0769  1.0
  Cl  Cl5  4  0.0000  0.2827  0.7500  1.0
]