data_[Na1V1As1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  V  1.6300  1.3500  0.7775
  As  2.1800  1.1500  0.6600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.9022]
_cell_length_b [5.5171]
_cell_length_c [5.9034]
_cell_angle_alpha [117.3028]
_cell_angle_beta [101.0937]
_cell_angle_gamma [91.9578]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaVAsF6]
_chemical_formula_sum '[Na1 V1 As1 F6]'
_cell_volume [137.8460]
_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
[
  Na  Na0  1  0.9900  0.0516  0.0615  1
  V  V1  1  0.5007  0.6490  0.3132  1
  As  As2  1  0.5645  0.3414  0.7023  1
  F  F3  1  0.1653  0.4477  0.0561  1
  F  F4  1  0.3217  0.0016  0.3765  1
  F  F5  1  0.3357  0.5415  0.5704  1
  F  F6  1  0.6642  0.7169  0.0499  1
  F  F7  1  0.6851  0.3355  0.2422  1
  F  F8  1  0.7729  0.9150  0.6282  1
]