# generated using pymatgen data_Ba5Cr3O13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.93062859 _cell_length_b 10.42728337 _cell_length_c 10.43095707 _cell_angle_alpha 60.10714758 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba5Cr3O13 _chemical_formula_sum 'Ba10 Cr6 O26' _cell_volume 747.82756359 _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 Ba Ba0 1 0.49669676 0.33328501 0.33328932 1.0 Ba Ba1 1 0.99669676 0.66671499 0.66671068 1.0 Ba Ba2 1 -0.00048519 0.33304350 0.33305792 1.0 Ba Ba3 1 0.49951481 0.66695650 0.66694208 1.0 Ba Ba4 1 0.24877828 0.22194089 0.75895348 1.0 Ba Ba5 1 0.24872379 0.75985535 0.01854555 1.0 Ba Ba6 1 0.24917812 0.01819803 0.22398394 1.0 Ba Ba7 1 0.74877828 0.77805911 0.24104652 1.0 Ba Ba8 1 0.74872379 0.24014465 0.98145445 1.0 Ba Ba9 1 0.74917812 0.98180197 0.77601606 1.0 Cr Cr10 1 0.24975704 0.40870201 0.96259688 1.0 Cr Cr11 1 0.25026676 0.96271110 0.62894770 1.0 Cr Cr12 1 0.24997270 0.62799199 0.40889136 1.0 Cr Cr13 1 0.74975704 0.59129799 0.03740312 1.0 Cr Cr14 1 0.75026676 0.03728890 0.37105230 1.0 Cr Cr15 1 0.74997270 0.37200801 0.59110864 1.0 O O16 1 0.24966448 0.33237112 0.14874197 1.0 O O17 1 0.24910225 0.14845490 0.51517503 1.0 O O18 1 0.24916132 0.51692573 0.33357532 1.0 O O19 1 0.74966448 0.66762888 0.85125803 1.0 O O20 1 0.74910225 0.85154510 0.48482497 1.0 O O21 1 0.74916132 0.48307427 0.66642468 1.0 O O22 1 0.24790287 0.59488401 0.87293552 1.0 O O23 1 0.24888680 0.87328848 0.53148949 1.0 O O24 1 0.24860215 0.53229019 0.59517787 1.0 O O25 1 0.74790287 0.40511599 0.12706448 1.0 O O26 1 0.74888680 0.12671152 0.46851051 1.0 O O27 1 0.74860215 0.46770981 0.40482213 1.0 O O28 1 0.42273895 0.36068876 0.90377254 1.0 O O29 1 0.42130061 0.90218598 0.73849193 1.0 O O30 1 0.42270066 0.73520557 0.36041502 1.0 O O31 1 0.92273895 0.63931124 0.09622746 1.0 O O32 1 0.92130061 0.09781402 0.26150807 1.0 O O33 1 0.92270066 0.26479443 0.63958498 1.0 O O34 1 0.57786038 0.64703117 0.09073737 1.0 O O35 1 0.58021372 0.08997687 0.25949393 1.0 O O36 1 0.57841801 0.26247362 0.64808622 1.0 O O37 1 0.07786038 0.35296883 0.90926263 1.0 O O38 1 0.08021372 0.91002313 0.74050607 1.0 O O39 1 0.07841801 0.73752638 0.35191378 1.0 O O40 1 0.27955954 0.00106075 0.00067365 1.0 O O41 1 0.77955954 0.99893925 -0.00067365 1.0