data_[Ba1V1Sn2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [P-1]
_cell_length_a [5.2766]
_cell_length_b [5.6567]
_cell_length_c [7.3363]
_cell_angle_alpha [86.0121]
_cell_angle_beta [89.4920]
_cell_angle_gamma [84.8678]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaVSn2F8]
_chemical_formula_sum '[Ba1 V1 Sn2 F8]'
_cell_volume [217.5688]
_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
[
  Ba  Ba0  1  0.0000  0.0000  0.5000  1.0
  V  V1  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  2  0.4734  0.4553  0.2222  1.0
  F  F3  2  0.1315  0.7396  0.2186  1.0
  F  F4  2  0.1744  0.2437  0.1562  1.0
  F  F5  2  0.2922  0.9115  0.8064  1.0
  F  F6  2  0.3818  0.2992  0.4846  1.0
]