data_[Li10V2O8F2]
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 [Cm]
_cell_length_a [9.4547]
_cell_length_b [4.0207]
_cell_length_c [5.8147]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8114]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Li5VO4F]
_chemical_formula_sum '[Li10 V2 O8 F2]'
_cell_volume [210.4451]
_cell_formula_units_Z [2]
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  2  0.0138  0.0000  0.4785  1
  Li  Li1  2  0.1831  0.5000  0.8551  1
  Li  Li2  2  0.2100  0.5000  0.3037  1
  Li  Li3  2  0.3042  0.0000  0.6571  1
  Li  Li4  2  0.3300  0.0000  0.1109  1
  V  V5  2  0.0235  0.0000  0.0151  1
  O  O6  2  0.0094  0.5000  0.9848  1
  O  O7  2  0.1459  0.0000  0.8107  1
  O  O8  2  0.1745  0.0000  0.3140  1
  O  O9  2  0.3669  0.5000  0.1478  1
  F  F10  2  0.3401  0.5000  0.6488  1
]