data_[K4Sn4Ge4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sn  1.9600  1.4500  0.8300
  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 [10.5868]
_cell_length_b [11.6209]
_cell_length_c [10.9260]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.1827]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KSnGeBr5]
_chemical_formula_sum '[K4 Sn4 Ge4 Br20]'
_cell_volume [1226.2382]
_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  0.4252  0.7500  1.0
  Sn  Sn1  4  0.2500  0.2500  0.5000  1.0
  Ge  Ge2  4  0.0000  0.0169  0.7500  1.0
  Br  Br3  8  0.0278  0.1695  0.5917  1.0
  Br  Br4  8  0.2129  0.4882  0.5846  1.0
  Br  Br5  4  0.0000  0.2853  0.2500  1.0
]