data_[Li3V4O3F9]
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 [5.9562]
_cell_length_b [5.9736]
_cell_length_c [6.0868]
_cell_angle_alpha [99.0955]
_cell_angle_beta [99.6870]
_cell_angle_gamma [99.6522]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li3V4(OF3)3]
_chemical_formula_sum '[Li3 V4 O3 F9]'
_cell_volume [206.5557]
_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  0.0158  0.9919  0.0074  1.0
  Li  Li1  1  0.2905  0.5928  0.1142  1.0
  Li  Li2  1  0.8639  0.6705  0.3912  1.0
  V  V3  1  0.1402  0.3266  0.6110  1.0
  V  V4  1  0.3965  0.8538  0.6750  1.0
  V  V5  1  0.6071  0.1491  0.3362  1.0
  V  V6  1  0.6709  0.4048  0.8423  1.0
  O  O7  1  0.4124  0.5760  0.7987  1.0
  O  O8  1  0.4130  0.1708  0.5722  1.0
  O  O9  1  0.8192  0.4067  0.5814  1.0
  F  F10  1  0.0830  0.9076  0.6925  1.0
  F  F11  1  0.0866  0.3117  0.9268  1.0
  F  F12  1  0.1863  0.5833  0.4118  1.0
  F  F13  1  0.3371  0.9366  0.1237  1.0
  F  F14  1  0.5590  0.4098  0.1728  1.0
  F  F15  1  0.6242  0.8444  0.4664  1.0
  F  F16  1  0.6646  0.0744  0.9146  1.0
  F  F17  1  0.8865  0.6763  0.0484  1.0
  F  F18  1  0.9434  0.1128  0.3133  1.0
]