data_[Cs3Ba1V2F9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ba  0.8900  2.1500  1.4900
  V  1.6300  1.3500  0.7775
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.4668]
_cell_length_b [6.4668]
_cell_length_c [8.1357]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Cs3BaV2F9]
_chemical_formula_sum '[Cs3 Ba1 V2 F9]'
_cell_volume [294.6461]
_cell_formula_units_Z [1]
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  2  0.3333  0.6667  0.3094  1.0
  Cs  Cs1  1  0.0000  0.0000  0.0000  1.0
  Ba  Ba2  1  0.0000  0.0000  0.5000  1.0
  V  V3  2  0.3333  0.6667  0.8515  1.0
  F  F4  6  0.1809  0.3619  0.6965  1.0
  F  F5  3  0.0000  0.5000  0.0000  1.0
]