data_[Li6V4O6F6]
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 [5.7109]
_cell_length_b [3.1752]
_cell_length_c [13.5049]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.5008]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Li3V2(OF)3]
_chemical_formula_sum '[Li6 V4 O6 F6]'
_cell_volume [242.1931]
_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  0.1290  0.0000  0.3967  1.0
  Li  Li1  2  0.2357  0.5000  0.2171  1.0
  Li  Li2  2  0.3615  0.5000  0.5759  1.0
  V  V3  2  0.0031  0.0000  0.0058  1.0
  V  V4  2  0.2587  0.0000  0.7772  1.0
  O  O5  2  0.1869  0.5000  0.0678  1.0
  O  O6  2  0.3117  0.0000  0.9211  1.0
  O  O7  2  0.4250  0.5000  0.7484  1.0
  F  F8  2  0.0776  0.0000  0.2548  1.0
  F  F9  2  0.2007  0.0000  0.6084  1.0
  F  F10  2  0.3132  0.5000  0.4340  1.0
]