data_[Ba3Be6V3F24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Be  1.5700  1.0500  0.5900
  V  1.6300  1.3500  0.7775
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [4.9470]
_cell_length_b [4.9470]
_cell_length_c [21.8364]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [BaBe2VF8]
_chemical_formula_sum '[Ba3 Be6 V3 F24]'
_cell_volume [462.7978]
_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
[
  Ba  Ba0  3  -0.0000  0.0000  0.5000  1.0
  Be  Be1  6  0.0000  0.0000  0.2546  1.0
  V  V2  3  0.0000  0.0000  0.0000  1.0
  F  F3  18  0.0090  0.3067  0.7256  1.0
  F  F4  6  0.0000  0.0000  0.1825  1.0
]