# generated using pymatgen data_Cr2O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.35137545 _cell_length_b 5.35137518 _cell_length_c 5.35136264 _cell_angle_alpha 55.74690512 _cell_angle_beta 55.74691520 _cell_angle_gamma 55.74667374 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2O3 _chemical_formula_sum 'Cr4 O6' _cell_volume 97.67336914 _cell_formula_units_Z 2 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 Cr Cr0 1 0.84985642 0.84985610 0.84985664 1.0 Cr Cr1 1 0.65014390 0.65014323 0.65014446 1.0 Cr Cr2 1 0.15014310 0.15014369 0.15014429 1.0 Cr Cr3 1 0.34985583 0.34985636 0.34985649 1.0 O O4 1 0.05169148 0.74999902 0.44830795 1.0 O O5 1 0.74999800 0.44830991 0.05169236 1.0 O O6 1 0.44830717 0.05169318 0.74999885 1.0 O O7 1 0.94830967 0.25000027 0.55169171 1.0 O O8 1 0.55169308 0.94830703 0.25000095 1.0 O O9 1 0.25000135 0.55169121 0.94830731 1.0