data_[Li3V4O7F5]
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 [P1]
_cell_length_a [5.1091]
_cell_length_b [5.3682]
_cell_length_c [8.8823]
_cell_angle_alpha [73.4296]
_cell_angle_beta [89.0006]
_cell_angle_gamma [62.8040]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li3V4O7F5]
_chemical_formula_sum '[Li3 V4 O7 F5]'
_cell_volume [205.8539]
_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
[
  Li  Li0  1  0.0738  0.8622  0.3405  1.0
  Li  Li1  1  0.2954  0.3891  0.1038  1.0
  Li  Li2  1  0.5289  0.9230  0.8468  1.0
  V  V3  1  0.2059  0.5919  0.7365  1.0
  V  V4  1  0.5097  0.0141  0.4980  1.0
  V  V5  1  0.7621  0.4904  0.2403  1.0
  V  V6  1  0.9313  0.0452  0.9992  1.0
  O  O7  1  0.0025  0.7523  0.8725  1.0
  O  O8  1  0.0109  0.2235  0.1344  1.0
  O  O9  1  0.4277  0.7608  0.6898  1.0
  O  O10  1  0.5597  0.2535  0.9324  1.0
  O  O11  1  0.5763  0.2680  0.3156  1.0
  O  O12  1  0.9315  0.7390  0.1796  1.0
  O  O13  1  0.9508  0.7581  0.5669  1.0
  F  F14  1  0.0674  0.2522  0.4313  1.0
  F  F15  1  0.0945  0.2414  0.8260  1.0
  F  F16  1  0.4390  0.7358  0.0541  1.0
  F  F17  1  0.4817  0.2527  0.6408  1.0
  F  F18  1  0.4936  0.7615  0.3724  1.0
]