# generated using pymatgen data_Ba3NiSb2O9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.87851700 _cell_length_b 10.18189000 _cell_length_c 14.52209300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba3NiSb2O9 _chemical_formula_sum 'Ba12 Ni4 Sb8 O36' _cell_volume 869.21135868 _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 0.50000000 0.16666700 0.90952300 1.0 Ba Ba1 1 0.00000000 0.66666700 0.90952300 1.0 Ba Ba2 1 0.00000000 0.33333300 0.40952200 1.0 Ba Ba3 1 0.50000000 0.83333300 0.40952200 1.0 Ba Ba4 1 0.50000000 0.16666700 0.60629100 1.0 Ba Ba5 1 0.00000000 0.66666700 0.60629100 1.0 Ba Ba6 1 0.00000000 0.33333300 0.10629100 1.0 Ba Ba7 1 0.50000000 0.83333300 0.10629100 1.0 Ba Ba8 1 0.00000000 0.00000000 0.74389200 1.0 Ba Ba9 1 0.50000000 0.50000000 0.74389200 1.0 Ba Ba10 1 0.00000000 0.00000000 0.24389200 1.0 Ba Ba11 1 0.50000000 0.50000000 0.24389200 1.0 Ni Ni12 1 0.50000000 0.83333300 0.65008500 1.0 Ni Ni13 1 0.00000000 0.66666700 0.15008500 1.0 Ni Ni14 1 0.00000000 0.33333300 0.65008500 1.0 Ni Ni15 1 0.50000000 0.16666700 0.15008500 1.0 Sb Sb16 1 0.00000000 0.00000000 0.00151300 1.0 Sb Sb17 1 0.50000000 0.50000000 0.00151300 1.0 Sb Sb18 1 0.00000000 0.00000000 0.50151300 1.0 Sb Sb19 1 0.50000000 0.50000000 0.50151300 1.0 Sb Sb20 1 0.00000000 0.33333300 0.83636800 1.0 Sb Sb21 1 0.50000000 0.83333300 0.83636800 1.0 Sb Sb22 1 0.50000000 0.16666700 0.33636800 1.0 Sb Sb23 1 0.00000000 0.66666700 0.33636800 1.0 O O24 1 0.75283600 0.08238800 0.41545900 1.0 O O25 1 0.25283600 0.58238800 0.41545900 1.0 O O26 1 0.25283600 0.41761200 0.91545900 1.0 O O27 1 0.75283600 0.91761200 0.91545900 1.0 O O28 1 0.00000000 0.16477600 0.91545900 1.0 O O29 1 0.50000000 0.66477600 0.91545900 1.0 O O30 1 0.50000000 0.33522400 0.41545900 1.0 O O31 1 0.00000000 0.83522400 0.41545900 1.0 O O32 1 0.24716400 0.08238800 0.41545900 1.0 O O33 1 0.74716400 0.58238800 0.41545900 1.0 O O34 1 0.74716400 0.41761200 0.91545900 1.0 O O35 1 0.24716400 0.91761200 0.91545900 1.0 O O36 1 0.26711800 0.24429400 0.25339000 1.0 O O37 1 0.76711800 0.74429400 0.25339000 1.0 O O38 1 0.76711800 0.25570600 0.75339000 1.0 O O39 1 0.26711800 0.75570600 0.75339000 1.0 O O40 1 0.00000000 0.48858800 0.75339000 1.0 O O41 1 0.50000000 0.98858800 0.75339000 1.0 O O42 1 0.50000000 0.01141200 0.25339000 1.0 O O43 1 0.00000000 0.51141200 0.25339000 1.0 O O44 1 0.73288200 0.24429400 0.25339000 1.0 O O45 1 0.23288200 0.74429400 0.25339000 1.0 O O46 1 0.23288200 0.25570600 0.75339000 1.0 O O47 1 0.73288200 0.75570600 0.75339000 1.0 O O48 1 0.74189500 0.41936800 0.57559000 1.0 O O49 1 0.24189500 0.91936800 0.57559000 1.0 O O50 1 0.24189500 0.08063200 0.07559000 1.0 O O51 1 0.74189500 0.58063200 0.07559000 1.0 O O52 1 0.50000000 0.33873700 0.07559000 1.0 O O53 1 0.00000000 0.83873700 0.07559000 1.0 O O54 1 0.00000000 0.16126300 0.57559000 1.0 O O55 1 0.50000000 0.66126300 0.57559000 1.0 O O56 1 0.25810500 0.41936800 0.57559000 1.0 O O57 1 0.75810500 0.91936800 0.57559000 1.0 O O58 1 0.75810500 0.08063200 0.07559000 1.0 O O59 1 0.25810500 0.58063200 0.07559000 1.0