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 [P1]
_cell_length_a [4.6510]
_cell_length_b [8.1929]
_cell_length_c [10.6247]
_cell_angle_alpha [98.8024]
_cell_angle_beta [101.3190]
_cell_angle_gamma [90.3047]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KGeBr3]
_chemical_formula_sum '[K2 Ge2 Br6]'
_cell_volume [392.0423]
_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  1  0.2586  0.3461  0.0379  1.0
  K  K1  1  0.9908  0.8854  0.4147  1.0
  Ge  Ge2  1  0.3827  0.8111  0.8198  1.0
  Ge  Ge3  1  0.5641  0.3564  0.4430  1.0
  Br  Br4  1  0.0110  0.2608  0.5869  1.0
  Br  Br5  1  0.4349  0.0845  0.2770  1.0
  Br  Br6  1  0.5690  0.7426  0.6056  1.0
  Br  Br7  1  0.6879  0.0762  0.9010  1.0
  Br  Br8  1  0.7105  0.6237  0.9467  1.0
  Br  Br9  1  0.8407  0.4874  0.2853  1.0
]