data_[K1La1Ge2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  La  1.1000  1.9500  1.1720
  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 [6.7715]
_cell_length_b [7.3184]
_cell_length_c [9.3548]
_cell_angle_alpha [86.2034]
_cell_angle_beta [87.8304]
_cell_angle_gamma [86.0862]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KLa(GeBr4)2]
_chemical_formula_sum '[K1 La1 Ge2 Br8]'
_cell_volume [461.2364]
_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
  La  La1  1  0.0000  0.0000  0.0000  1.0
  Ge  Ge2  2  0.4611  0.4593  0.7481  1.0
  Br  Br3  2  0.2349  0.8158  0.7764  1.0
  Br  Br4  2  0.2471  0.3290  0.9657  1.0
  Br  Br5  2  0.2697  0.8543  0.2285  1.0
  Br  Br6  2  0.2709  0.3623  0.5487  1.0
]