# generated using pymatgen data_Ba3NiSb2O9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.92019300 _cell_length_b 15.79334112 _cell_length_c 10.25407500 _cell_angle_alpha 71.05666466 _cell_angle_beta 90.00000000 _cell_angle_gamma 100.80265908 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba3NiSb2O9 _chemical_formula_sum 'Ba12 Ni4 Sb8 O36' _cell_volume 888.84376625 _cell_formula_units_Z 4 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 Ba Ba0 1 0.87500000 0.75000000 0.12500000 1.0 Ba Ba1 1 0.37500000 0.75000000 0.62500000 1.0 Ba Ba2 1 0.62500000 0.25000000 0.37500000 1.0 Ba Ba3 1 0.12500000 0.25000000 0.87500000 1.0 Ba Ba4 1 0.79331300 0.58662600 0.87335400 1.0 Ba Ba5 1 0.29331300 0.58662600 0.37335400 1.0 Ba Ba6 1 0.04331300 0.08662600 0.29002100 1.0 Ba Ba7 1 0.54331300 0.08662600 0.79002100 1.0 Ba Ba8 1 0.20668700 0.41337400 0.12664600 1.0 Ba Ba9 1 0.70668700 0.41337400 0.62664600 1.0 Ba Ba10 1 0.95668700 0.91337400 0.70997900 1.0 Ba Ba11 1 0.45668700 0.91337400 0.20997900 1.0 Ni Ni12 1 0.50000000 0.00000000 0.50000000 1.0 Ni Ni13 1 0.75000000 0.50000000 0.25000000 1.0 Ni Ni14 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni15 1 0.25000000 0.50000000 0.75000000 1.0 Sb Sb16 1 0.32583300 0.65166600 0.00750000 1.0 Sb Sb17 1 0.82583300 0.65166600 0.50750000 1.0 Sb Sb18 1 0.57583300 0.15166600 0.09083400 1.0 Sb Sb19 1 0.07583300 0.15166600 0.59083400 1.0 Sb Sb20 1 0.42416700 0.84833400 0.90916600 1.0 Sb Sb21 1 0.92416700 0.84833400 0.40916600 1.0 Sb Sb22 1 0.67416700 0.34833400 0.99250000 1.0 Sb Sb23 1 0.17416700 0.34833400 0.49250000 1.0 O O24 1 0.62500000 0.25000000 0.89307700 1.0 O O25 1 0.12500000 0.25000000 0.39307700 1.0 O O26 1 0.15211500 0.75000000 0.88403800 1.0 O O27 1 0.65211500 0.75000000 0.38403800 1.0 O O28 1 0.59788500 0.75000000 0.88403800 1.0 O O29 1 0.09788500 0.75000000 0.38403800 1.0 O O30 1 0.40211500 0.25000000 0.11596200 1.0 O O31 1 0.90211500 0.25000000 0.61596200 1.0 O O32 1 0.84788500 0.25000000 0.11596200 1.0 O O33 1 0.34788500 0.25000000 0.61596200 1.0 O O34 1 0.37500000 0.75000000 0.10692300 1.0 O O35 1 0.87500000 0.75000000 0.60692300 1.0 O O36 1 0.29491200 0.08376600 0.04246000 1.0 O O37 1 0.79491200 0.08376600 0.54246000 1.0 O O38 1 0.54188300 0.08376600 0.28943100 1.0 O O39 1 0.04188300 0.08376600 0.78943100 1.0 O O40 1 0.78885400 0.08376600 0.04246000 1.0 O O41 1 0.28885400 0.08376600 0.54246000 1.0 O O42 1 0.04491200 0.58376600 0.12377400 1.0 O O43 1 0.54491200 0.58376600 0.62377400 1.0 O O44 1 0.45811700 0.91623400 0.71056900 1.0 O O45 1 0.95811700 0.91623400 0.21056900 1.0 O O46 1 0.53885400 0.58376600 0.12377400 1.0 O O47 1 0.03885400 0.58376600 0.62377400 1.0 O O48 1 0.29188300 0.58376600 0.87680300 1.0 O O49 1 0.79188300 0.58376600 0.37680300 1.0 O O50 1 0.46114600 0.41623400 0.87622600 1.0 O O51 1 0.96114600 0.41623400 0.37622600 1.0 O O52 1 0.95508800 0.41623400 0.87622600 1.0 O O53 1 0.45508800 0.41623400 0.37622600 1.0 O O54 1 0.21114600 0.91623400 0.95754000 1.0 O O55 1 0.71114600 0.91623400 0.45754000 1.0 O O56 1 0.70508800 0.91623400 0.95754000 1.0 O O57 1 0.20508800 0.91623400 0.45754000 1.0 O O58 1 0.70811700 0.41623400 0.12319700 1.0 O O59 1 0.20811700 0.41623400 0.62319700 1.0