data_[Cs3Be6Nb3F24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Be  1.5700  1.0500  0.5900
  Nb  1.6000  1.4500  0.8200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.0899]
_cell_length_b [5.0899]
_cell_length_c [26.3662]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [CsBe2NbF8]
_chemical_formula_sum '[Cs3 Be6 Nb3 F24]'
_cell_volume [591.5472]
_cell_formula_units_Z [3]
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  3  -0.0000  0.0000  0.5000  1.0
  Be  Be1  6  0.0000  0.0000  0.2618  1.0
  Nb  Nb2  3  0.0000  0.0000  0.0000  1.0
  F  F3  18  0.0240  0.6268  0.3824  1.0
  F  F4  6  0.0000  0.0000  0.2052  1.0
]