data_[Li3V1O1F5]
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 [5.0564]
_cell_length_b [5.0589]
_cell_length_c [5.3543]
_cell_angle_alpha [104.8781]
_cell_angle_beta [106.4002]
_cell_angle_gamma [110.6844]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li3VOF5]
_chemical_formula_sum '[Li3 V1 O1 F5]'
_cell_volume [112.8079]
_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  0.1955  0.8042  0.4932  1.0
  Li  Li1  1  0.3841  0.6453  0.9892  1.0
  Li  Li2  1  0.8251  0.1951  0.4824  1.0
  V  V3  1  0.9769  0.9825  0.9820  1.0
  O  O4  1  0.6201  0.8960  0.7680  1.0
  F  F5  1  0.0845  0.3692  0.2707  1.0
  F  F6  1  0.2043  0.2033  0.7998  1.0
  F  F7  1  0.3776  0.9983  0.2531  1.0
  F  F8  1  0.8175  0.7972  0.2296  1.0
  F  F9  1  0.9931  0.6191  0.7416  1.0
]