data_[Cs6V9Sn3F36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  V  1.6300  1.3500  0.7775
  Sn  1.9600  1.4500  0.8300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.7397]
_cell_length_b [7.7397]
_cell_length_c [18.9588]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs2V3SnF12]
_chemical_formula_sum '[Cs6 V9 Sn3 F36]'
_cell_volume [983.5242]
_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  6  0.0000  0.0000  0.3835  1.0
  V  V1  9  0.0000  0.5000  0.5000  1.0
  Sn  Sn2  3  0.0000  0.0000  0.0000  1.0
  F  F3  18  0.0148  0.5074  0.6057  1.0
  F  F4  18  0.0774  0.5387  0.8358  1.0
]