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 [P2_1/m]
_cell_length_a [5.9876]
_cell_length_b [7.6457]
_cell_length_c [8.6236]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2471]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KGeBr3]
_chemical_formula_sum '[K2 Ge2 Br6]'
_cell_volume [370.3879]
_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  0.1607  0.2500  0.8140  1.0
  Ge  Ge1  2  0.4054  0.2500  0.3816  1.0
  Br  Br2  4  0.3340  0.5001  0.1765  1.0
  Br  Br3  2  0.0096  0.7500  0.6048  1.0
]