# generated using pymatgen data_Y5Mn3(NiO6)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51617300 _cell_length_b 7.48311700 _cell_length_c 17.53151620 _cell_angle_alpha 64.68836422 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y5Mn3(NiO6)3 _chemical_formula_sum 'Y10 Mn6 Ni6 O36' _cell_volume 654.19357741 _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 Y Y0 1 0.81337800 0.74829400 0.50465000 1.0 Y Y1 1 0.81566700 0.07918700 0.17097700 1.0 Y Y2 1 0.32007600 0.25510100 0.99151200 1.0 Y Y3 1 0.31542300 0.58678100 0.66361800 1.0 Y Y4 1 0.32393900 0.92421200 0.32731100 1.0 Y Y5 1 0.67606100 0.92421200 0.82731100 1.0 Y Y6 1 0.67992400 0.25510100 0.49151200 1.0 Y Y7 1 0.68457700 0.58678100 0.16361800 1.0 Y Y8 1 0.18433300 0.07918700 0.67097700 1.0 Y Y9 1 0.18662200 0.74829400 0.00465000 1.0 Mn Mn10 1 0.23049000 0.17857200 0.83179600 1.0 Mn Mn11 1 0.24353200 0.49971400 0.49606600 1.0 Mn Mn12 1 0.24662200 0.82449100 0.17042100 1.0 Mn Mn13 1 0.75646800 0.49971400 0.99606600 1.0 Mn Mn14 1 0.75337800 0.82449100 0.67042100 1.0 Mn Mn15 1 0.76951000 0.17857200 0.33179600 1.0 Ni Ni16 1 0.23068100 0.66096000 0.83395700 1.0 Ni Ni17 1 0.24806800 0.00659800 0.49655000 1.0 Ni Ni18 1 0.25031900 0.33456500 0.16748600 1.0 Ni Ni19 1 0.75193200 0.00659800 0.99655000 1.0 Ni Ni20 1 0.74968100 0.33456500 0.66748600 1.0 Ni Ni21 1 0.76931900 0.66096000 0.33395700 1.0 O O22 1 0.06617800 0.09545300 0.93746600 1.0 O O23 1 0.05776300 0.45247900 0.59874400 1.0 O O24 1 0.05268800 0.80845200 0.26094300 1.0 O O25 1 0.55434400 0.55215800 0.90501400 1.0 O O26 1 0.54932800 0.87814600 0.57073900 1.0 O O27 1 0.56226300 0.21994300 0.23409300 1.0 O O28 1 0.43773700 0.21994300 0.73409300 1.0 O O29 1 0.44565600 0.55215800 0.40501400 1.0 O O30 1 0.45067200 0.87814600 0.07073900 1.0 O O31 1 0.94731200 0.80845200 0.76094300 1.0 O O32 1 0.93382200 0.09545300 0.43746600 1.0 O O33 1 0.94223700 0.45247900 0.09874400 1.0 O O34 1 0.07018600 0.52186900 0.94436700 1.0 O O35 1 0.04195300 0.84395200 0.60446600 1.0 O O36 1 0.03823700 0.17077900 0.26444800 1.0 O O37 1 0.51337900 0.13169700 0.90000100 1.0 O O38 1 0.53846200 0.48939800 0.56422200 1.0 O O39 1 0.55046700 0.81875900 0.23216100 1.0 O O40 1 0.44953300 0.81875900 0.73216100 1.0 O O41 1 0.48662100 0.13169700 0.40000100 1.0 O O42 1 0.46153800 0.48939800 0.06422200 1.0 O O43 1 0.96176300 0.17077900 0.76444800 1.0 O O44 1 0.92981400 0.52186900 0.44436700 1.0 O O45 1 0.95804700 0.84395200 0.10446600 1.0 O O46 1 0.77974200 0.78042800 0.96517000 1.0 O O47 1 0.77318200 0.11446100 0.63132900 1.0 O O48 1 0.78571100 0.44823100 0.30078900 1.0 O O49 1 0.27329800 0.88252600 0.86381900 1.0 O O50 1 0.27768600 0.22140800 0.53231100 1.0 O O51 1 0.27962000 0.55980800 0.19587300 1.0 O O52 1 0.72038000 0.55980800 0.69587300 1.0 O O53 1 0.72670200 0.88252600 0.36381900 1.0 O O54 1 0.72231400 0.22140800 0.03231100 1.0 O O55 1 0.21428900 0.44823100 0.80078900 1.0 O O56 1 0.22025800 0.78042800 0.46517000 1.0 O O57 1 0.22681800 0.11446100 0.13132900 1.0