data_[Li3V2O4F4]
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 [Pm]
_cell_length_a [6.4598]
_cell_length_b [3.5706]
_cell_length_c [7.1650]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.2868]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Li3V2(OF)4]
_chemical_formula_sum '[Li3 V2 O4 F4]'
_cell_volume [152.9177]
_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  0.3585  0.5000  0.6267  1.0
  Li  Li1  1  0.4326  0.5000  0.0255  1.0
  Li  Li2  1  0.6777  0.0000  0.4053  1.0
  V  V3  1  0.1406  0.0000  0.2275  1.0
  V  V4  1  0.8834  0.5000  0.8061  1.0
  O  O5  1  0.1084  0.5000  0.1485  1.0
  O  O6  1  0.3103  0.0000  0.4731  1.0
  O  O7  1  0.7302  0.5000  0.5568  1.0
  O  O8  1  0.9305  0.0000  0.8833  1.0
  F  F9  1  0.1761  0.5000  0.7802  1.0
  F  F10  1  0.4166  0.0000  0.1483  1.0
  F  F11  1  0.6158  0.5000  0.8745  1.0
  F  F12  1  0.8686  0.0000  0.2681  1.0
]