data_[Li6V2F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  V  1.6300  1.3500  0.7775
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8394]
_cell_length_b [9.7859]
_cell_length_c [5.4712]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.5154]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3VF8]
_chemical_formula_sum '[Li6 V2 F16]'
_cell_volume [318.6620]
_cell_formula_units_Z [2]
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
[
  Li  Li0  4  0.2500  0.2500  0.5000  1.0
  Li  Li1  2  0.0000  0.5000  0.5000  1.0
  V  V2  2  0.0000  0.0000  0.0000  1.0
  F  F3  4  0.0000  0.1848  0.0000  1.0
  F  F4  4  0.0000  0.3111  0.5000  1.0
  F  F5  4  0.1557  0.0000  0.3870  1.0
  F  F6  4  0.2346  0.5000  0.9957  1.0
]