# generated using pymatgen data_Sr5Nd5Cu(NiO5)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.84136300 _cell_length_b 6.84553443 _cell_length_c 18.84620767 _cell_angle_alpha 84.21113334 _cell_angle_beta 84.55308625 _cell_angle_gamma 74.04360050 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr5Nd5Cu(NiO5)4 _chemical_formula_sum 'Sr5 Nd5 Cu1 Ni4 O20' _cell_volume 472.88804718 _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 0.34901600 0.75679500 0.52786500 1.0 Sr Sr1 1 0.37238900 0.54469900 0.72178800 1.0 Sr Sr2 1 0.39586000 0.32487800 0.91130700 1.0 Sr Sr3 1 0.57985900 0.65153000 0.08381000 1.0 Sr Sr4 1 0.62288300 0.45320900 0.27611400 1.0 Nd Nd5 1 0.33093800 0.15196400 0.14107600 1.0 Nd Nd6 1 0.34570100 0.95113500 0.33364500 1.0 Nd Nd7 1 0.62811500 0.25999000 0.46931200 1.0 Nd Nd8 1 0.67461100 0.83055700 0.85910200 1.0 Nd Nd9 1 0.64030200 0.05296900 0.66346200 1.0 Cu Cu10 1 0.98898300 0.99600800 0.00187900 1.0 Ni Ni11 1 0.97991100 0.80082600 0.20372000 1.0 Ni Ni12 1 0.98519100 0.60797500 0.40147600 1.0 Ni Ni13 1 0.99309800 0.40527400 0.59732900 1.0 Ni Ni14 1 0.01963000 0.18443900 0.79602100 1.0 O O15 1 0.95205600 0.95478300 0.10181200 1.0 O O16 1 0.97393200 0.72103200 0.30589100 1.0 O O17 1 0.99287400 0.49964500 0.49777100 1.0 O O18 1 0.02182400 0.26758300 0.69221000 1.0 O O19 1 0.03267400 0.04798300 0.90149800 1.0 O O20 1 0.17088800 0.44492000 0.02926300 1.0 O O21 1 0.81921400 0.11070000 0.23199900 1.0 O O22 1 0.81345500 0.93025300 0.42592300 1.0 O O23 1 0.82170500 0.71616700 0.63361400 1.0 O O24 1 0.84891500 0.49319200 0.82945400 1.0 O O25 1 0.48398700 0.00175900 0.00530900 1.0 O O26 1 0.47036900 0.82028700 0.20545900 1.0 O O27 1 0.48571800 0.60722000 0.40130500 1.0 O O28 1 0.50245700 0.38794100 0.59432300 1.0 O O29 1 0.53235300 0.16285700 0.79061300 1.0 O O30 1 0.15170100 0.48760800 0.17643200 1.0 O O31 1 0.15944900 0.28351300 0.37510600 1.0 O O32 1 0.15071000 0.10384200 0.56279200 1.0 O O33 1 0.18807600 0.86987900 0.77587000 1.0 O O34 1 0.02115800 0.61658700 0.97545000 1.0