# generated using pymatgen data_Fe13(NiO10)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.06415552 _cell_length_b 6.06415552 _cell_length_c 24.94102567 _cell_angle_alpha 82.93700537 _cell_angle_beta 82.93700537 _cell_angle_gamma 59.87117901 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe13(NiO10)2 _chemical_formula_sum 'Fe26 Ni4 O40' _cell_volume 785.24280320 _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 Fe Fe0 1 0.69930800 0.20118500 0.89794000 1.0 Fe Fe1 1 0.67497800 0.67497800 0.97440200 1.0 Fe Fe2 1 0.60053700 0.60053700 0.70030000 1.0 Fe Fe3 1 0.00242200 0.00242200 0.00017000 1.0 Fe Fe4 1 0.72853100 0.72853100 0.82521300 1.0 Fe Fe5 1 0.20118500 0.69930800 0.89794000 1.0 Fe Fe6 1 0.59897800 0.09988400 0.69950600 1.0 Fe Fe7 1 0.50059800 0.99751700 0.50172200 1.0 Fe Fe8 1 0.09988400 0.59897800 0.69950600 1.0 Fe Fe9 1 0.07265400 0.07265400 0.77349000 1.0 Fe Fe10 1 0.47510100 0.47510100 0.57542800 1.0 Fe Fe11 1 0.87339900 0.87339900 0.37764200 1.0 Fe Fe12 1 0.99591900 0.99591900 0.50230500 1.0 Fe Fe13 1 0.12570200 0.12570200 0.62527300 1.0 Fe Fe14 1 0.52463200 0.52463200 0.42555700 1.0 Fe Fe15 1 0.92332900 0.92332900 0.22555200 1.0 Fe Fe16 1 0.99751700 0.50059800 0.50172200 1.0 Fe Fe17 1 0.90228200 0.39820100 0.29994100 1.0 Fe Fe18 1 0.39820100 0.90228200 0.29994100 1.0 Fe Fe19 1 0.79835500 0.30173100 0.10089400 1.0 Fe Fe20 1 0.27690600 0.27690600 0.17372000 1.0 Fe Fe21 1 0.39944900 0.39944900 0.29994400 1.0 Fe Fe22 1 0.79795400 0.79795400 0.10126300 1.0 Fe Fe23 1 0.20054100 0.20054100 0.40151300 1.0 Fe Fe24 1 0.32613800 0.32613800 0.02362500 1.0 Fe Fe25 1 0.30173100 0.79835500 0.10089400 1.0 Ni Ni26 1 0.79834700 0.79834700 0.59996000 1.0 Ni Ni27 1 0.20014700 0.20014700 0.89901900 1.0 Ni Ni28 1 0.39889600 0.39889600 0.79954600 1.0 Ni Ni29 1 0.59952600 0.59952600 0.19975100 1.0 O O30 1 0.85369900 0.32932700 0.94880300 1.0 O O31 1 0.86243900 0.86243900 0.94746900 1.0 O O32 1 0.54276300 0.54276300 0.85272200 1.0 O O33 1 0.75688100 0.75688100 0.74755400 1.0 O O34 1 0.35545900 0.35545900 0.94462400 1.0 O O35 1 0.54641500 0.06458900 0.85263000 1.0 O O36 1 0.06458900 0.54641500 0.85263000 1.0 O O37 1 0.95194000 0.46218400 0.65252000 1.0 O O38 1 0.24852700 0.73472600 0.74925900 1.0 O O39 1 0.73472600 0.24852700 0.74925900 1.0 O O40 1 0.32932700 0.85369900 0.94880300 1.0 O O41 1 0.65350400 0.65350400 0.55158900 1.0 O O42 1 0.85526600 0.85526600 0.45671900 1.0 O O43 1 0.04542700 0.04542700 0.85389300 1.0 O O44 1 0.44167300 0.44167300 0.65511800 1.0 O O45 1 0.25751300 0.25751300 0.74831100 1.0 O O46 1 0.94047400 0.94047400 0.65397100 1.0 O O47 1 0.46218400 0.95194000 0.65252000 1.0 O O48 1 0.86847100 0.33494200 0.44879600 1.0 O O49 1 0.33494200 0.86847100 0.44879600 1.0 O O50 1 0.66446500 0.13885900 0.54921800 1.0 O O51 1 0.52038300 0.06643500 0.34576500 1.0 O O52 1 0.13885900 0.66446500 0.54921800 1.0 O O53 1 0.06849300 0.06849300 0.34615700 1.0 O O54 1 0.74007700 0.74007700 0.25330700 1.0 O O55 1 0.55242900 0.55242900 0.34427700 1.0 O O56 1 0.34405400 0.34405400 0.44670400 1.0 O O57 1 0.94372400 0.94372400 0.14846900 1.0 O O58 1 0.14523800 0.14523800 0.54778300 1.0 O O59 1 0.74169800 0.26451000 0.25307600 1.0 O O60 1 0.26451000 0.74169800 0.25307600 1.0 O O61 1 0.66864300 0.13207800 0.04903300 1.0 O O62 1 0.06643500 0.52038300 0.34576500 1.0 O O63 1 0.93823600 0.46628500 0.14871300 1.0 O O64 1 0.46628500 0.93823600 0.14871300 1.0 O O65 1 0.65633000 0.65633000 0.05106500 1.0 O O66 1 0.45629800 0.45629800 0.14991100 1.0 O O67 1 0.24897900 0.24897900 0.25340000 1.0 O O68 1 0.14341700 0.14341700 0.04765600 1.0 O O69 1 0.13207800 0.66864300 0.04903300 1.0