data_[Li2V2O1F5]
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 [5.1609]
_cell_length_b [5.1875]
_cell_length_c [5.6064]
_cell_angle_alpha [62.5910]
_cell_angle_beta [63.0987]
_cell_angle_gamma [61.7461]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li2V2OF5]
_chemical_formula_sum '[Li2 V2 O1 F5]'
_cell_volume [111.9661]
_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  0.1073  0.1629  0.5792  1.0
  Li  Li1  1  0.6558  0.6000  0.1127  1.0
  V  V2  1  0.3357  0.3360  0.9694  1.0
  V  V3  1  0.8531  0.8704  0.4466  1.0
  O  O4  1  0.9570  0.2246  0.2496  1.0
  F  F5  1  0.0570  0.7505  0.7393  1.0
  F  F6  1  0.2498  0.5744  0.2403  1.0
  F  F7  1  0.4404  0.0810  0.7117  1.0
  F  F8  1  0.6021  0.9312  0.2219  1.0
  F  F9  1  0.7417  0.4689  0.7292  1.0
]