data_[Li16V8O16F16]
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
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [10.3688]
_cell_length_b [5.9116]
_cell_length_c [10.3797]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.3866]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Li2V(OF)2]
_chemical_formula_sum '[Li16 V8 O16 F16]'
_cell_volume [588.2897]
_cell_formula_units_Z [8]
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  0.0645  0.2378  0.9356  1
  Li  Li1  4  0.2475  0.0075  0.2500  1
  Li  Li2  4  0.2498  0.4896  0.7527  1
  Li  Li3  4  0.4359  0.2514  0.0638  1
  V  V4  4  0.0002  0.2735  0.2500  1
  V  V5  4  0.2495  0.2689  0.4994  1
  O  O6  4  0.1255  0.0535  0.3733  1
  O  O7  4  0.1295  0.4884  0.3713  1
  O  O8  4  0.3688  0.4637  0.6238  1
  O  O9  4  0.3764  0.0316  0.6301  1
  F  F10  4  0.1209  0.2563  0.1382  1
  F  F11  4  0.1372  0.2470  0.6201  1
  F  F12  4  0.3615  0.2603  0.3786  1
  F  F13  4  0.3799  0.2380  0.8628  1
]