data_[K1Pr1Ge2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Pr  1.1300  1.8500  1.0600
  Ge  2.0100  1.2500  0.7700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7665]
_cell_length_b [7.3041]
_cell_length_c [9.3301]
_cell_angle_alpha [86.2954]
_cell_angle_beta [87.7656]
_cell_angle_gamma [86.0712]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KPr(GeBr4)2]
_chemical_formula_sum '[K1 Pr1 Ge2 Br8]'
_cell_volume [458.8043]
_cell_formula_units_Z [1]
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  0.0000  0.0000  0.5000  1.0
  Pr  Pr1  1  0.0000  0.0000  0.0000  1.0
  Ge  Ge2  2  0.4591  0.4593  0.7497  1.0
  Br  Br3  2  0.2348  0.8163  0.7771  1.0
  Br  Br4  2  0.2442  0.3268  0.9671  1.0
  Br  Br5  2  0.2666  0.8528  0.2266  1.0
  Br  Br6  2  0.2722  0.3610  0.5485  1.0
]