# generated using pymatgen data_Si2NiO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10571600 _cell_length_b 10.73539500 _cell_length_c 18.44902300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si2NiO6 _chemical_formula_sum 'Si16 Ni8 O48' _cell_volume 1011.22559822 _cell_formula_units_Z 8 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 Si Si0 1 0.62053900 0.66917700 0.27736500 1.0 Si Si1 1 0.76142800 0.82941100 0.97348200 1.0 Si Si2 1 0.73857200 0.82941100 0.47348200 1.0 Si Si3 1 0.87946100 0.16917700 0.72263500 1.0 Si Si4 1 0.12053900 0.33082300 0.22263500 1.0 Si Si5 1 0.37946100 0.83082300 0.77736500 1.0 Si Si6 1 0.26142800 0.67058900 0.97348200 1.0 Si Si7 1 0.76142800 0.32941100 0.52651800 1.0 Si Si8 1 0.73857200 0.32941100 0.02651800 1.0 Si Si9 1 0.87946100 0.66917700 0.77736500 1.0 Si Si10 1 0.37946100 0.33082300 0.72263500 1.0 Si Si11 1 0.62053900 0.16917700 0.22263500 1.0 Si Si12 1 0.23857200 0.17058900 0.02651800 1.0 Si Si13 1 0.12053900 0.83082300 0.27736500 1.0 Si Si14 1 0.23857200 0.67058900 0.47348200 1.0 Si Si15 1 0.26142800 0.17058900 0.52651800 1.0 Ni Ni16 1 0.43793200 0.04413100 0.37436000 1.0 Ni Ni17 1 0.56206800 0.95586900 0.62564000 1.0 Ni Ni18 1 0.93793200 0.95586900 0.12564000 1.0 Ni Ni19 1 0.06206800 0.04413100 0.87436000 1.0 Ni Ni20 1 0.43793200 0.54413100 0.12564000 1.0 Ni Ni21 1 0.56206800 0.45586900 0.87436000 1.0 Ni Ni22 1 0.93793200 0.45586900 0.37436000 1.0 Ni Ni23 1 0.06206800 0.54413100 0.62564000 1.0 O O24 1 0.81161000 0.54130600 0.82171200 1.0 O O25 1 0.32387300 0.04547700 0.57444700 1.0 O O26 1 0.18839000 0.45869400 0.17828800 1.0 O O27 1 0.76473800 0.35985100 0.43976400 1.0 O O28 1 0.26473800 0.14014900 0.43976400 1.0 O O29 1 0.96545900 0.21688900 0.54693300 1.0 O O30 1 0.85694300 0.63309000 0.69094200 1.0 O O31 1 0.14305700 0.86691000 0.19094200 1.0 O O32 1 0.76473800 0.85985100 0.06023600 1.0 O O33 1 0.85694300 0.13309000 0.80905800 1.0 O O34 1 0.31161000 0.45869400 0.67828800 1.0 O O35 1 0.73526200 0.35985100 0.93976400 1.0 O O36 1 0.67612700 0.95452300 0.42555300 1.0 O O37 1 0.35694300 0.86691000 0.69094200 1.0 O O38 1 0.68839000 0.04130600 0.17828800 1.0 O O39 1 0.32387300 0.54547700 0.92555300 1.0 O O40 1 0.31161000 0.95869400 0.82171200 1.0 O O41 1 0.17297800 0.71806300 0.79662900 1.0 O O42 1 0.32702200 0.71806300 0.29662900 1.0 O O43 1 0.53454100 0.71688900 0.45306700 1.0 O O44 1 0.73526200 0.85985100 0.56023600 1.0 O O45 1 0.64305700 0.63309000 0.19094200 1.0 O O46 1 0.82387300 0.45452300 0.57444700 1.0 O O47 1 0.17297800 0.21806300 0.70337100 1.0 O O48 1 0.23526200 0.14014900 0.93976400 1.0 O O49 1 0.64305700 0.13309000 0.30905800 1.0 O O50 1 0.67612700 0.45452300 0.07444700 1.0 O O51 1 0.26473800 0.64014900 0.06023600 1.0 O O52 1 0.17612700 0.54547700 0.42555300 1.0 O O53 1 0.67297800 0.78193700 0.79662900 1.0 O O54 1 0.18839000 0.95869400 0.32171200 1.0 O O55 1 0.82702200 0.78193700 0.29662900 1.0 O O56 1 0.82702200 0.28193700 0.20337100 1.0 O O57 1 0.82387300 0.95452300 0.92555300 1.0 O O58 1 0.23526200 0.64014900 0.56023600 1.0 O O59 1 0.17612700 0.04547700 0.07444700 1.0 O O60 1 0.32702200 0.21806300 0.20337100 1.0 O O61 1 0.03454100 0.78311100 0.45306700 1.0 O O62 1 0.46545900 0.78311100 0.95306700 1.0 O O63 1 0.67297800 0.28193700 0.70337100 1.0 O O64 1 0.46545900 0.28311100 0.54693300 1.0 O O65 1 0.53454100 0.21688900 0.04693300 1.0 O O66 1 0.03454100 0.28311100 0.04693300 1.0 O O67 1 0.35694300 0.36691000 0.80905800 1.0 O O68 1 0.68839000 0.54130600 0.32171200 1.0 O O69 1 0.96545900 0.71688900 0.95306700 1.0 O O70 1 0.14305700 0.36691000 0.30905800 1.0 O O71 1 0.81161000 0.04130600 0.67828800 1.0