# generated using pymatgen data_VCrO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01581782 _cell_length_b 5.40185269 _cell_length_c 8.92349397 _cell_angle_alpha 85.22156065 _cell_angle_beta 73.50997017 _cell_angle_gamma 117.51382704 _symmetry_Int_Tables_number 1 _chemical_formula_structural VCrO3 _chemical_formula_sum 'V4 Cr4 O12' _cell_volume 198.97063809 _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 0.14736483 0.86940665 0.57933350 1.0 V V1 1 0.34813806 0.87640817 0.17726697 1.0 V V2 1 0.65184715 0.62366264 0.32274485 1.0 V V3 1 0.85262184 0.63054261 0.92063565 1.0 Cr Cr4 1 0.15187360 0.38035104 0.07343484 1.0 Cr Cr5 1 0.35083467 0.37179304 0.67296420 1.0 Cr Cr6 1 0.64920998 0.12818605 0.82701243 1.0 Cr Cr7 1 0.84819248 0.11975675 0.42654887 1.0 O O8 1 0.05529058 0.52244956 0.72153312 1.0 O O9 1 0.05765674 0.03298048 0.22181727 1.0 O O10 1 0.44625409 0.87644722 0.37717271 1.0 O O11 1 0.55381496 0.62363433 0.12283466 1.0 O O12 1 0.25133025 0.77880864 0.97250939 1.0 O O13 1 0.24941661 0.27611318 0.47279111 1.0 O O14 1 0.74860253 0.72113584 0.52747109 1.0 O O15 1 0.75047360 0.22381563 0.02724225 1.0 O O16 1 0.44463090 0.37500325 0.87335911 1.0 O O17 1 0.55534864 0.12490262 0.62671154 1.0 O O18 1 0.94458637 0.97737566 0.77839821 1.0 O O19 1 0.94250812 0.46722663 0.27821523 1.0