# generated using pymatgen data_Cr(CuO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.80738600 _cell_length_b 5.14178400 _cell_length_c 14.92103793 _cell_angle_alpha 90.00000000 _cell_angle_beta 106.15412467 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr(CuO3)2 _chemical_formula_sum 'Cr4 Cu8 O24' _cell_volume 427.95539253 _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 Cr Cr0 1 0.15412300 0.95225300 0.37611800 1.0 Cr Cr1 1 0.84587700 0.45225300 0.12388200 1.0 Cr Cr2 1 0.84587700 0.04774700 0.62388200 1.0 Cr Cr3 1 0.15412300 0.54774700 0.87611800 1.0 Cu Cu4 1 0.00000000 0.00000000 0.00000000 1.0 Cu Cu5 1 0.00000000 0.50000000 0.50000000 1.0 Cu Cu6 1 0.50000000 0.00000000 0.00000000 1.0 Cu Cu7 1 0.50000000 0.50000000 0.50000000 1.0 Cu Cu8 1 0.36092400 0.76955900 0.17933700 1.0 Cu Cu9 1 0.63907600 0.26955900 0.32066300 1.0 Cu Cu10 1 0.63907600 0.23044100 0.82066300 1.0 Cu Cu11 1 0.36092400 0.73044100 0.67933700 1.0 O O12 1 0.07283900 0.61341300 0.09780200 1.0 O O13 1 0.92716100 0.11341300 0.40219800 1.0 O O14 1 0.92716100 0.38658700 0.90219800 1.0 O O15 1 0.07283900 0.88658700 0.59780200 1.0 O O16 1 0.10990500 0.91819400 0.26544300 1.0 O O17 1 0.89009500 0.41819400 0.23455700 1.0 O O18 1 0.89009500 0.08180600 0.73455700 1.0 O O19 1 0.10990500 0.58180600 0.76544300 1.0 O O20 1 0.19384400 0.63658300 0.42785500 1.0 O O21 1 0.80615600 0.13658300 0.07214500 1.0 O O22 1 0.80615600 0.36341700 0.57214500 1.0 O O23 1 0.19384400 0.86341700 0.92785500 1.0 O O24 1 0.40123400 0.11716000 0.41730900 1.0 O O25 1 0.59876600 0.61716000 0.08269100 1.0 O O26 1 0.59876600 0.88284000 0.58269100 1.0 O O27 1 0.40123400 0.38284000 0.91730900 1.0 O O28 1 0.30619000 0.04355800 0.08663900 1.0 O O29 1 0.69381000 0.54355800 0.41336100 1.0 O O30 1 0.69381000 0.95644200 0.91336100 1.0 O O31 1 0.30619000 0.45644200 0.58663900 1.0 O O32 1 0.39484300 0.45064100 0.24329800 1.0 O O33 1 0.60515700 0.95064100 0.25670200 1.0 O O34 1 0.60515700 0.54935900 0.75670200 1.0 O O35 1 0.39484300 0.04935900 0.74329800 1.0