data_[Li3V4O5F7]
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 [5.7735]
_cell_length_b [5.8636]
_cell_length_c [6.1736]
_cell_angle_alpha [100.2641]
_cell_angle_beta [98.1805]
_cell_angle_gamma [98.0808]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li3V4O5F7]
_chemical_formula_sum '[Li3 V4 O5 F7]'
_cell_volume [200.5867]
_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  0.1338  0.5898  0.3210  1.0
  Li  Li1  1  0.5926  0.3250  0.1411  1.0
  Li  Li2  1  0.6639  0.8515  0.3766  1.0
  V  V3  1  0.0218  0.9933  0.9861  1.0
  V  V4  1  0.2994  0.1454  0.6271  1.0
  V  V5  1  0.3813  0.6916  0.8590  1.0
  V  V6  1  0.8491  0.3947  0.6626  1.0
  O  O7  1  0.0275  0.6834  0.8909  1.0
  O  O8  1  0.1752  0.4363  0.5991  1.0
  O  O9  1  0.3350  0.0577  0.9362  1.0
  O  O10  1  0.5912  0.4242  0.7980  1.0
  O  O11  1  0.9504  0.1012  0.7108  1.0
  F  F12  1  0.1141  0.9602  0.3147  1.0
  F  F13  1  0.3915  0.5794  0.1544  1.0
  F  F14  1  0.4363  0.8307  0.5863  1.0
  F  F15  1  0.5889  0.1797  0.4196  1.0
  F  F16  1  0.6943  0.8716  0.0449  1.0
  F  F17  1  0.8096  0.5977  0.4429  1.0
  F  F18  1  0.9440  0.2868  0.1285  1.0
]