data_[Ba1V1Sn1F6]
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 [P1]
_cell_length_a [4.9876]
_cell_length_b [5.7336]
_cell_length_c [5.8508]
_cell_angle_alpha [62.8742]
_cell_angle_beta [86.6556]
_cell_angle_gamma [81.6512]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BaVSnF6]
_chemical_formula_sum '[Ba1 V1 Sn1 F6]'
_cell_volume [147.3278]
_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  0.8435  0.9716  0.0459  1.0
  V  V1  1  0.5515  0.6688  0.6640  1.0
  Sn  Sn2  1  0.2873  0.3125  0.4160  1.0
  F  F3  1  0.2241  0.9089  0.7352  1.0
  F  F4  1  0.3586  0.7896  0.3028  1.0
  F  F5  1  0.3990  0.3049  0.7791  1.0
  F  F6  1  0.7023  0.0337  0.4958  1.0
  F  F7  1  0.7451  0.5331  0.0145  1.0
  F  F8  1  0.8885  0.4771  0.5467  1.0
]