data_[K4Zn4Ge4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Zn  1.6500  1.3500  0.8800
  Ge  2.0100  1.2500  0.7700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.4221]
_cell_length_b [12.3645]
_cell_length_c [10.2461]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.0501]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KZnGeBr5]
_chemical_formula_sum '[K4 Zn4 Ge4 Br20]'
_cell_volume [1090.0519]
_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  0.3438  0.7500  1
  Zn  Zn1  4  0.0000  0.3156  0.2500  1
  Ge  Ge2  4  0.0000  0.0000  0.0000  1
  Br  Br3  8  0.1162  0.2101  0.1172  1
  Br  Br4  8  0.1836  0.4346  0.4345  1
  Br  Br5  4  0.0000  0.0793  0.7500  1
]