# generated using pymatgen data_Cr2O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05742377 _cell_length_b 5.52757376 _cell_length_c 5.05742872 _cell_angle_alpha 117.22418827 _cell_angle_beta 60.00002016 _cell_angle_gamma 117.22412719 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2O3 _chemical_formula_sum 'Cr4 O6' _cell_volume 103.96313559 _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 0.00000000 -0.00000000 -0.00000000 1.0 Cr Cr1 1 0.31251287 0.93753960 0.31251287 1.0 Cr Cr2 1 0.50000000 0.50000000 0.50000000 1.0 Cr Cr3 1 0.68748713 0.06246040 0.68748713 1.0 O O4 1 0.28504538 0.78096961 0.60959533 1.0 O O5 1 0.39040367 0.21903139 0.11367309 1.0 O O6 1 0.11367309 0.21903139 0.71495562 1.0 O O7 1 0.88632691 0.78096861 0.28504438 1.0 O O8 1 0.60959633 0.78096861 0.88632691 1.0 O O9 1 0.71495462 0.21903039 0.39040467 1.0