data_[K2Ge2Br6]
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 [Cm]
_cell_length_a [7.9797]
_cell_length_b [7.8745]
_cell_length_c [5.5920]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.3605]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KGeBr3]
_chemical_formula_sum '[K2 Ge2 Br6]'
_cell_volume [351.2810]
_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  2  0.0018  0.0000  0.9994  1.0
  Ge  Ge1  2  0.0216  0.5000  0.4666  1.0
  Br  Br2  4  0.2436  0.2582  0.4864  1.0
  Br  Br3  2  0.4943  0.0000  0.9992  1.0
]