# generated using pymatgen data_VCr2O6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44210400 _cell_length_b 16.65831800 _cell_length_c 4.91906700 _cell_angle_alpha 90.00001853 _cell_angle_beta 89.99817570 _cell_angle_gamma 90.00011006 _symmetry_Int_Tables_number 1 _chemical_formula_structural VCr2O6 _chemical_formula_sum 'V4 Cr8 O24' _cell_volume 364.00102641 _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 V V0 1 0.99999600 0.38769800 0.25000100 1.0 V V1 1 0.00000500 0.61233200 0.75000200 1.0 V V2 1 0.50000400 0.11230800 0.75000000 1.0 V V3 1 0.49999400 0.88769000 0.24999800 1.0 Cr Cr4 1 0.99999800 0.05048200 0.24999900 1.0 Cr Cr5 1 0.00000300 0.28238100 0.74999700 1.0 Cr Cr6 1 0.99999600 0.71756800 0.25000300 1.0 Cr Cr7 1 0.99999800 0.94952000 0.74999500 1.0 Cr Cr8 1 0.49999600 0.21758400 0.24999800 1.0 Cr Cr9 1 0.49999900 0.55046700 0.25000400 1.0 Cr Cr10 1 0.50000500 0.78243000 0.75000400 1.0 Cr Cr11 1 0.49999900 0.44953100 0.75000400 1.0 O O12 1 0.23957300 0.04144900 0.59195400 1.0 O O13 1 0.23953000 0.95853200 0.09197700 1.0 O O14 1 0.27491600 0.20577200 0.58735800 1.0 O O15 1 0.27490700 0.79421200 0.08738000 1.0 O O16 1 0.22506500 0.37154700 0.56986900 1.0 O O17 1 0.22510400 0.62846100 0.06989200 1.0 O O18 1 0.27494700 0.12844000 0.06985500 1.0 O O19 1 0.27487900 0.87155000 0.56987700 1.0 O O20 1 0.22505100 0.29422200 0.08739000 1.0 O O21 1 0.22508700 0.70580300 0.58738400 1.0 O O22 1 0.26043000 0.45854500 0.09195800 1.0 O O23 1 0.26048300 0.54147100 0.59196500 1.0 O O24 1 0.73956900 0.45854400 0.40804800 1.0 O O25 1 0.73951700 0.54147200 0.90804000 1.0 O O26 1 0.77495000 0.29422200 0.41260900 1.0 O O27 1 0.77491700 0.70580300 0.91261300 1.0 O O28 1 0.72505100 0.12843900 0.43014400 1.0 O O29 1 0.72512500 0.87155000 0.93011800 1.0 O O30 1 0.77493900 0.37154700 0.93013400 1.0 O O31 1 0.77489700 0.62846100 0.43010900 1.0 O O32 1 0.72508100 0.20577200 0.91264100 1.0 O O33 1 0.72509800 0.79421300 0.41261800 1.0 O O34 1 0.76042300 0.04144900 0.90804300 1.0 O O35 1 0.76047000 0.95853300 0.40801800 1.0