data_[Li6V4F18]
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]
_cell_length_a [10.0507]
_cell_length_b [5.2966]
_cell_length_c [7.4399]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.1347]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Li3V2F9]
_chemical_formula_sum '[Li6 V4 F18]'
_cell_volume [393.7938]
_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  0.1400  0.3243  0.4617  1.0
  Li  Li1  2  0.0000  0.0308  0.0000  1.0
  V  V2  4  0.1435  0.5212  0.8477  1.0
  F  F3  4  0.0365  0.3252  0.6668  1.0
  F  F4  4  0.0420  0.8215  0.8105  1.0
  F  F5  4  0.2409  0.2143  0.9543  1.0
  F  F6  4  0.2445  0.0794  0.3546  1.0
  F  F7  2  0.0000  0.3973  0.0000  1.0
]