data_[Cs8Nb4F28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Nb  1.6000  1.4500  0.8200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.0565]
_cell_length_b [7.2450]
_cell_length_c [10.4499]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.1529]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cs2NbF7]
_chemical_formula_sum '[Cs8 Nb4 F28]'
_cell_volume [858.3008]
_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
[
  Cs  Cs0  8  0.1757  0.4403  0.2611  1
  Nb  Nb1  4  0.0000  0.0850  0.7500  1
  F  F2  8  0.0845  0.1498  0.9907  1
  F  F3  8  0.1020  0.1364  0.3791  1
  F  F4  8  0.1399  0.1371  0.7744  1
  F  F5  4  0.0000  0.3671  0.7500  1
]