data_[K6Ge4Br14]
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 [I4/mmm]
_cell_length_a [5.5693]
_cell_length_b [5.5693]
_cell_length_c [27.6905]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [K3Ge2Br7]
_chemical_formula_sum '[K6 Ge4 Br14]'
_cell_volume [858.8906]
_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  0.0000  0.0000  0.3207  1.0
  K  K1  2  0.0000  0.0000  0.5000  1.0
  Ge  Ge2  4  0.0000  0.0000  0.1037  1.0
  Br  Br3  8  0.0000  0.5000  0.1001  1.0
  Br  Br4  4  0.0000  0.0000  0.2020  1.0
  Br  Br5  2  0.0000  0.0000  0.0000  1.0
]