data_[K1Nb1Ag2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Nb  1.6000  1.4500  0.8200
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7666]
_cell_length_b [7.7694]
_cell_length_c [9.2813]
_cell_angle_alpha [66.6707]
_cell_angle_beta [82.8997]
_cell_angle_gamma [82.6939]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KNb(AgBr4)2]
_chemical_formula_sum '[K1 Nb1 Ag2 Br8]'
_cell_volume [442.9705]
_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  0.5000  0.5000  1.0
  Nb  Nb1  1  0.0000  0.0000  0.0000  1.0
  Ag  Ag2  2  0.4718  0.0227  0.3327  1.0
  Br  Br3  2  0.0832  0.9716  0.2743  1.0
  Br  Br4  2  0.1437  0.3163  0.8774  1.0
  Br  Br5  2  0.3426  0.8341  0.9626  1.0
  Br  Br6  2  0.4491  0.3074  0.4323  1.0
]