data_[K4Ge6Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ge  2.0100  1.2500  0.7700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.0287]
_cell_length_b [8.3655]
_cell_length_c [7.2823]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8610]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Ge3Br8]
_chemical_formula_sum '[K4 Ge6 Br16]'
_cell_volume [929.4007]
_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  4  0.2374  0.5000  0.6688  1.0
  Ge  Ge1  4  0.0000  0.2591  0.0000  1.0
  Ge  Ge2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  8  0.1040  0.2354  0.3923  1.0
  Br  Br4  4  0.1070  0.0000  0.8953  1.0
  Br  Br5  4  0.1074  0.5000  0.9488  1.0
]