# generated using pymatgen
data_Li3VOF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.84363900
_cell_length_b   8.61268692
_cell_length_c   5.04903572
_cell_angle_alpha   90.12384648
_cell_angle_beta   90.16845931
_cell_angle_gamma   90.17877255
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3VOF5
_chemical_formula_sum   'Li12 V4 O4 F20'
_cell_volume   428.05321928
_cell_formula_units_Z   4
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  0.45932100  0.48703600  0.10911000  1
  Li  Li1  1  0.85392500  0.01214800  0.12806700  1
  Li  Li2  1  0.04454000  0.49278000  0.14919500  1
  Li  Li3  1  0.54451300  0.00774200  0.34837400  1
  Li  Li4  1  0.35035900  0.50049400  0.37261900  1
  Li  Li5  1  0.95983500  0.00219900  0.39155200  1
  Li  Li6  1  0.04382300  0.49990800  0.60575000  1
  Li  Li7  1  0.64898500  0.00626400  0.62540800  1
  Li  Li8  1  0.45120900  0.50547700  0.64813500  1
  Li  Li9  1  0.95294600  0.00265200  0.85369200  1
  Li  Li10  1  0.15016100  0.51346100  0.87211500  1
  Li  Li11  1  0.54585100  0.99618900  0.89441700  1
  V  V12  1  0.24046400  0.97054700  0.10712000  1
  V  V13  1  0.74044100  0.52436000  0.38254000  1
  V  V14  1  0.25965600  0.02427500  0.61811000  1
  V  V15  1  0.76032900  0.50008600  0.87226100  1
  O  O16  1  0.09496500  0.83268900  0.01367300  1
  O  O17  1  0.39954800  0.85533000  0.03121300  1
  O  O18  1  0.74267800  0.80034600  0.47618400  1
  O  O19  1  0.25731900  0.30125800  0.52525600  1
  F  F20  1  0.24246300  0.31648100  0.02483900  1
  F  F21  1  0.06555100  0.14697600  0.22794300  1
  F  F22  1  0.23145900  0.69836100  0.24212200  1
  F  F23  1  0.38014300  0.18342700  0.24689500  1
  F  F24  1  0.88759500  0.67795500  0.24926600  1
  F  F25  1  0.73335100  0.19430000  0.26427600  1
  F  F26  1  0.55860800  0.64143700  0.27208200  1
  F  F27  1  0.90945600  0.33982400  0.47487500  1
  F  F28  1  0.58757100  0.31738900  0.49031900  1
  F  F29  1  0.41170100  0.81726600  0.51021000  1
  F  F30  1  0.09004600  0.83924700  0.52601400  1
  F  F31  1  0.44102500  0.14380200  0.72881400  1
  F  F32  1  0.26661800  0.69477000  0.73584600  1
  F  F33  1  0.11282200  0.17945500  0.75187400  1
  F  F34  1  0.61054700  0.68396700  0.75076800  1
  F  F35  1  0.76925300  0.17863500  0.75986500  1
  F  F36  1  0.94147900  0.64702900  0.77333200  1
  F  F37  1  0.58935700  0.34352800  0.97494600  1
  F  F38  1  0.75444700  0.82918700  0.97946800  1
  F  F39  1  0.91563600  0.32056600  0.99145500  1
