# generated using pymatgen data_Sr18Ni13O42 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.24127031 _cell_length_b 13.24127031 _cell_length_c 13.24126977 _cell_angle_alpha 41.93527304 _cell_angle_beta 41.93527304 _cell_angle_gamma 41.93527689 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr18Ni13O42 _chemical_formula_sum 'Sr18 Ni13 O42' _cell_volume 937.79057409 _cell_formula_units_Z 1 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 Sr Sr0 1 0.72126800 0.00424900 0.36209900 1.0 Sr Sr1 1 0.00424900 0.36209900 0.72126800 1.0 Sr Sr2 1 0.41164900 0.08259600 0.75821400 1.0 Sr Sr3 1 0.36209900 0.72126800 0.00424900 1.0 Sr Sr4 1 0.75821400 0.41164900 0.08259600 1.0 Sr Sr5 1 0.79436500 0.13446500 0.48969000 1.0 Sr Sr6 1 0.08259600 0.75821400 0.41164900 1.0 Sr Sr7 1 0.13446500 0.48969000 0.79436500 1.0 Sr Sr8 1 0.49596500 0.21222100 0.87310900 1.0 Sr Sr9 1 0.48969000 0.79436500 0.13446500 1.0 Sr Sr10 1 0.87310900 0.49596500 0.21222100 1.0 Sr Sr11 1 0.92078600 0.24852500 0.57823600 1.0 Sr Sr12 1 0.21222100 0.87310900 0.49596500 1.0 Sr Sr13 1 0.24852500 0.57823600 0.92078600 1.0 Sr Sr14 1 0.63555000 0.28415100 0.99727500 1.0 Sr Sr15 1 0.57823600 0.92078600 0.24852500 1.0 Sr Sr16 1 0.99727500 0.63555000 0.28415100 1.0 Sr Sr17 1 0.28415100 0.99727500 0.63555000 1.0 Ni Ni18 1 0.99933700 0.99933700 0.99933700 1.0 Ni Ni19 1 0.06811300 0.06811300 0.06811300 1.0 Ni Ni20 1 0.21608500 0.21608500 0.21608500 1.0 Ni Ni21 1 0.28514600 0.28514600 0.28514600 1.0 Ni Ni22 1 0.35771500 0.35771500 0.35771500 1.0 Ni Ni23 1 0.43129700 0.43129700 0.43129700 1.0 Ni Ni24 1 0.50001600 0.50001600 0.50001600 1.0 Ni Ni25 1 0.56872100 0.56872100 0.56872100 1.0 Ni Ni26 1 0.64202900 0.64202900 0.64202900 1.0 Ni Ni27 1 0.71537100 0.71537100 0.71537100 1.0 Ni Ni28 1 0.78459700 0.78459700 0.78459700 1.0 Ni Ni29 1 0.85805400 0.85805400 0.85805400 1.0 Ni Ni30 1 0.93103100 0.93103100 0.93103100 1.0 O O31 1 0.36651200 0.02236800 0.18142700 1.0 O O32 1 0.02236800 0.18142700 0.36651200 1.0 O O33 1 0.18142700 0.36651200 0.02236800 1.0 O O34 1 0.25116500 0.09953400 0.40318800 1.0 O O35 1 0.40318800 0.25116500 0.09953400 1.0 O O36 1 0.09953400 0.40318800 0.25116500 1.0 O O37 1 0.47002000 0.15406300 0.32480400 1.0 O O38 1 0.15406300 0.32480400 0.47002000 1.0 O O39 1 0.32480400 0.47002000 0.15406300 1.0 O O40 1 0.18121500 0.04129700 0.87135800 1.0 O O41 1 0.87135800 0.18121500 0.04129700 1.0 O O42 1 0.55073100 0.24853000 0.40058800 1.0 O O43 1 0.24853000 0.40058800 0.55073100 1.0 O O44 1 0.93062000 0.09051400 0.26045900 1.0 O O45 1 0.40058800 0.55073100 0.24853000 1.0 O O46 1 0.09051400 0.26045900 0.93062000 1.0 O O47 1 0.04129700 0.87135800 0.18121500 1.0 O O48 1 0.45904000 0.31774400 0.62420600 1.0 O O49 1 0.62420600 0.45904000 0.31774400 1.0 O O50 1 0.31774400 0.62420600 0.45904000 1.0 O O51 1 0.26045900 0.93062000 0.09051400 1.0 O O52 1 0.74732300 0.05319200 0.89967400 1.0 O O53 1 0.67972800 0.37670000 0.54222500 1.0 O O54 1 0.37670000 0.54222500 0.67972800 1.0 O O55 1 0.54222500 0.67972800 0.37670000 1.0 O O56 1 0.95808200 0.12417800 0.81777700 1.0 O O57 1 0.89967400 0.74732300 0.05319200 1.0 O O58 1 0.59833700 0.44876000 0.75295700 1.0 O O59 1 0.05319200 0.89967400 0.74732300 1.0 O O60 1 0.75295700 0.59833700 0.44876000 1.0 O O61 1 0.44876000 0.75295700 0.59833700 1.0 O O62 1 0.12417800 0.81777700 0.95808200 1.0 O O63 1 0.81777700 0.95808200 0.12417800 1.0 O O64 1 0.67565400 0.53109100 0.84558400 1.0 O O65 1 0.84558400 0.67565400 0.53109100 1.0 O O66 1 0.53109100 0.84558400 0.67565400 1.0 O O67 1 0.90073100 0.60029800 0.74935500 1.0 O O68 1 0.60029800 0.74935500 0.90073100 1.0 O O69 1 0.74935500 0.90073100 0.60029800 1.0 O O70 1 0.82328000 0.65383100 0.96993300 1.0 O O71 1 0.96993300 0.82328000 0.65383100 1.0 O O72 1 0.65383100 0.96993300 0.82328000 1.0