data_[Nb2Ag2F12]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7761]
_cell_length_b [6.6947]
_cell_length_c [5.4061]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0841]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NbAgF6]
_chemical_formula_sum '[Nb2 Ag2 F12]'
_cell_volume [264.3202]
_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  0.0000  1.0
  Ag  Ag1  2  0.0000  0.5000  0.5000  1.0
  F  F2  8  0.0616  0.2039  0.2721  1.0
  F  F3  4  0.2469  0.5000  0.9824  1.0
]