data_[Nb2Ag6Br4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3065]
_cell_length_b [7.3197]
_cell_length_c [4.9813]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.7444]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NbAg3(BrF3)2]
_chemical_formula_sum '[Nb2 Ag6 Br4 F12]'
_cell_volume [518.0328]
_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
[
  Nb  Nb0  2  0.0000  0.0000  0.5000  1.0
  Ag  Ag1  4  0.2500  0.2500  0.5000  1.0
  Ag  Ag2  2  0.0000  0.5000  0.0000  1.0
  Br  Br3  4  0.1826  0.5000  0.1671  1.0
  F  F4  8  0.0594  0.1904  0.7336  1.0
  F  F5  4  0.1095  0.0000  0.3014  1.0
]