data_[Li8V4F20]
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 [P2_1/c]
_cell_length_a [7.1201]
_cell_length_b [5.1718]
_cell_length_c [10.0533]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8270]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Li2VF5]
_chemical_formula_sum '[Li8 V4 F20]'
_cell_volume [360.9627]
_cell_formula_units_Z [4]
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  0.1345  0.2410  0.9966  1
  Li  Li1  4  0.4802  0.7483  0.5668  1
  V  V2  4  0.1669  0.7314  0.7987  1
  F  F3  4  0.0506  0.5149  0.1430  1
  F  F4  4  0.0548  0.0310  0.1430  1
  F  F5  4  0.3074  0.5127  0.4348  1
  F  F6  4  0.3089  0.0062  0.4441  1
  F  F7  4  0.3927  0.7227  0.7283  1
]