# generated using pymatgen
data_Li2VCr2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.87141028
_cell_length_b   7.87141028
_cell_length_c   6.00303628
_cell_angle_alpha   78.09533910
_cell_angle_beta   78.09533910
_cell_angle_gamma   69.35986788
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2VCr2O6
_chemical_formula_sum   'Li6 V3 Cr6 O18'
_cell_volume   336.93973841
_cell_formula_units_Z   3
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  0.00086500  0.33302400  0.67305700  1
  Li  Li1  1  0.33302400  0.00086500  0.67305700  1
  Li  Li2  1  0.99913500  0.66697600  0.32694300  1
  Li  Li3  1  0.66697600  0.99913500  0.32694300  1
  Li  Li4  1  0.33075200  0.66924800  0.00000000  1
  Li  Li5  1  0.66924800  0.33075200  0.00000000  1
  V  V6  1  0.33600900  0.66399100  0.50000000  1
  V  V7  1  0.00000000  0.00000000  0.50000000  1
  V  V8  1  0.66399100  0.33600900  0.50000000  1
  Cr  Cr9  1  0.00165800  0.33110800  0.16401700  1
  Cr  Cr10  1  0.66478300  0.66478300  0.16375700  1
  Cr  Cr11  1  0.33110800  0.00165800  0.16401700  1
  Cr  Cr12  1  0.99834200  0.66889200  0.83598300  1
  Cr  Cr13  1  0.66889200  0.99834200  0.83598300  1
  Cr  Cr14  1  0.33521700  0.33521700  0.83624300  1
  O  O15  1  0.50475400  0.50475400  0.27069500  1
  O  O16  1  0.84430900  0.50102100  0.94035000  1
  O  O17  1  0.50102100  0.84430900  0.94035000  1
  O  O18  1  0.49524600  0.49524600  0.72930500  1
  O  O19  1  0.82478500  0.48334800  0.40214500  1
  O  O20  1  0.48334800  0.82478500  0.40214500  1
  O  O21  1  0.15569100  0.49897900  0.05965000  1
  O  O22  1  0.82174200  0.82174200  0.06946500  1
  O  O23  1  0.49897900  0.15569100  0.05965000  1
  O  O24  1  0.17521500  0.51665200  0.59785500  1
  O  O25  1  0.84980500  0.84980500  0.58761500  1
  O  O26  1  0.51665200  0.17521500  0.59785500  1
  O  O27  1  0.17462800  0.83167100  0.27787500  1
  O  O28  1  0.83167100  0.17462800  0.27787500  1
  O  O29  1  0.17825800  0.17825800  0.93053500  1
  O  O30  1  0.16832900  0.82537200  0.72212500  1
  O  O31  1  0.82537200  0.16832900  0.72212500  1
  O  O32  1  0.15019500  0.15019500  0.41238500  1
