data_[K4Mg4Ge4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mg  1.3100  1.5000  0.8600
  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 [9.5353]
_cell_length_b [10.8095]
_cell_length_c [9.9904]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.3875]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KMgGeCl5]
_chemical_formula_sum '[K4 Mg4 Ge4 Cl20]'
_cell_volume [930.2838]
_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  0.4226  0.2500  1.0
  Mg  Mg1  4  0.2500  0.2500  0.0000  1.0
  Ge  Ge2  4  0.0000  0.0084  0.2500  1.0
  Cl  Cl3  8  0.0559  0.1685  0.1027  1.0
  Cl  Cl4  8  0.2060  0.4610  0.0649  1.0
  Cl  Cl5  4  0.0000  0.2729  0.7500  1.0
]