data_[K4Nb4Br16]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.9219]
_cell_length_b [13.4928]
_cell_length_c [7.2594]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0869]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KNbBr4]
_chemical_formula_sum '[K4 Nb4 Br16]'
_cell_volume [906.7660]
_cell_formula_units_Z [4]
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  4  0.0000  0.3641  0.2500  1
  Nb  Nb1  4  0.0000  0.0005  0.2500  1
  Br  Br2  8  0.0024  0.1465  0.5015  1
  Br  Br3  8  0.2190  0.4989  0.6114  1
]