# generated using pymatgen data_Li4Fe2Ni5O12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.88174700 _cell_length_b 5.03498400 _cell_length_c 9.77686885 _cell_angle_alpha 79.35162121 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li4Fe2Ni5O12 _chemical_formula_sum 'Li8 Fe4 Ni10 O24' _cell_volume 429.68723187 _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 Li Li0 1 0.91114100 0.00280900 0.74773400 1.0 Li Li1 1 0.92105600 0.50294200 0.25375100 1.0 Li Li2 1 0.58424900 0.75862600 0.50131700 1.0 Li Li3 1 0.58302300 0.50558600 0.25060700 1.0 Li Li4 1 0.41114100 0.99719100 0.25226600 1.0 Li Li5 1 0.42105600 0.49705800 0.74624900 1.0 Li Li6 1 0.08424900 0.24137400 0.49868300 1.0 Li Li7 1 0.08302300 0.49441400 0.74939300 1.0 Fe Fe8 1 0.74627600 0.24955800 0.50187400 1.0 Fe Fe9 1 0.74617800 0.74938500 0.99677700 1.0 Fe Fe10 1 0.24617800 0.25061500 0.00322300 1.0 Fe Fe11 1 0.24627600 0.75044200 0.49812600 1.0 Ni Ni12 1 0.91855600 0.25168500 0.00263100 1.0 Ni Ni13 1 0.92087400 0.75241600 0.49762100 1.0 Ni Ni14 1 0.75293500 0.00273700 0.25144500 1.0 Ni Ni15 1 0.74224000 0.49962700 0.74654400 1.0 Ni Ni16 1 0.58174100 0.24502000 0.00048500 1.0 Ni Ni17 1 0.42087400 0.24758400 0.50237900 1.0 Ni Ni18 1 0.41855600 0.74831500 0.99736900 1.0 Ni Ni19 1 0.25293500 0.99726300 0.74855500 1.0 Ni Ni20 1 0.24224000 0.50037300 0.25345600 1.0 Ni Ni21 1 0.08174100 0.75498000 0.99951500 1.0 O O22 1 0.89676700 0.13778400 0.38622100 1.0 O O23 1 0.90617100 0.88505200 0.11244500 1.0 O O24 1 0.76807600 0.86347300 0.61335400 1.0 O O25 1 0.75984400 0.13340500 0.88661100 1.0 O O26 1 0.90867200 0.61256600 0.88134700 1.0 O O27 1 0.89535900 0.37076900 0.61943300 1.0 O O28 1 0.59523600 0.14501300 0.38356300 1.0 O O29 1 0.76444600 0.63675600 0.37898800 1.0 O O30 1 0.75055200 0.37757400 0.12194700 1.0 O O31 1 0.59040200 0.87628400 0.12192900 1.0 O O32 1 0.58994900 0.36791200 0.60705700 1.0 O O33 1 0.58724700 0.61282200 0.88166000 1.0 O O34 1 0.40617100 0.11494800 0.88755500 1.0 O O35 1 0.39676700 0.86221600 0.61377900 1.0 O O36 1 0.26807600 0.13652700 0.38664600 1.0 O O37 1 0.39535900 0.62923100 0.38056700 1.0 O O38 1 0.25984400 0.86659500 0.11338900 1.0 O O39 1 0.40867200 0.38743400 0.11865300 1.0 O O40 1 0.26444600 0.36324400 0.62101200 1.0 O O41 1 0.09523600 0.85498700 0.61643700 1.0 O O42 1 0.09040200 0.12371600 0.87807100 1.0 O O43 1 0.25055200 0.62242600 0.87805300 1.0 O O44 1 0.08994900 0.63208800 0.39294300 1.0 O O45 1 0.08724700 0.38717800 0.11834000 1.0