data_[Li1V4O5F7]
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 [5.1254]
_cell_length_b [5.3502]
_cell_length_c [9.0073]
_cell_angle_alpha [72.9882]
_cell_angle_beta [74.9059]
_cell_angle_gamma [62.9088]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiV4O5F7]
_chemical_formula_sum '[Li1 V4 O5 F7]'
_cell_volume [207.9158]
_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  0.6791  0.5393  0.0982  1.0
  V  V1  1  0.2105  0.2537  0.2520  1.0
  V  V2  1  0.5303  0.5032  0.5064  1.0
  V  V3  1  0.7592  0.7919  0.7399  1.0
  V  V4  1  0.9976  0.0037  0.9933  1.0
  O  O5  1  0.1557  0.1540  0.0828  1.0
  O  O6  1  0.6757  0.6524  0.5837  1.0
  O  O7  1  0.7269  0.1130  0.6241  1.0
  O  O8  1  0.8334  0.8197  0.9342  1.0
  O  O9  1  0.8364  0.4254  0.3176  1.0
  F  F10  1  0.1786  0.5631  0.6760  1.0
  F  F11  1  0.2548  0.6098  0.1210  1.0
  F  F12  1  0.2789  0.8693  0.3751  1.0
  F  F13  1  0.3282  0.9277  0.8203  1.0
  F  F14  1  0.3362  0.3321  0.4195  1.0
  F  F15  1  0.6552  0.0923  0.1760  1.0
  F  F16  1  0.7617  0.3944  0.8836  1.0
]