# generated using pymatgen data_Ba16Tb8Nb5(SnO16)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.08103900 _cell_length_b 6.08103900 _cell_length_c 34.54696000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba16Tb8Nb5(SnO16)3 _chemical_formula_sum 'Ba16 Tb8 Nb5 Sn3 O48' _cell_volume 1277.51325402 _cell_formula_units_Z 1 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 0.00000000 0.06236000 1.0 Ba Ba1 1 0.00000000 0.50000000 0.18755100 1.0 Ba Ba2 1 0.00000000 0.50000000 0.06236000 1.0 Ba Ba3 1 0.50000000 0.00000000 0.31292500 1.0 Ba Ba4 1 0.50000000 0.00000000 0.18755100 1.0 Ba Ba5 1 0.00000000 0.50000000 0.43860200 1.0 Ba Ba6 1 0.00000000 0.50000000 0.31292500 1.0 Ba Ba7 1 0.50000000 0.00000000 0.56152700 1.0 Ba Ba8 1 0.50000000 0.00000000 0.43860200 1.0 Ba Ba9 1 0.00000000 0.50000000 0.68739400 1.0 Ba Ba10 1 0.00000000 0.50000000 0.56152700 1.0 Ba Ba11 1 0.50000000 0.00000000 0.81180200 1.0 Ba Ba12 1 0.50000000 0.00000000 0.68739400 1.0 Ba Ba13 1 0.00000000 0.50000000 0.93791500 1.0 Ba Ba14 1 0.00000000 0.50000000 0.81180200 1.0 Ba Ba15 1 0.50000000 0.00000000 0.93791500 1.0 Tb Tb16 1 0.00000000 0.00000000 0.12597000 1.0 Tb Tb17 1 0.50000000 0.50000000 0.25004900 1.0 Tb Tb18 1 0.00000000 0.00000000 0.37547800 1.0 Tb Tb19 1 0.50000000 0.50000000 0.49992400 1.0 Tb Tb20 1 0.00000000 0.00000000 0.62453300 1.0 Tb Tb21 1 0.50000000 0.50000000 0.74917700 1.0 Tb Tb22 1 0.50000000 0.50000000 0.87594700 1.0 Tb Tb23 1 0.00000000 0.00000000 0.99960000 1.0 Nb Nb24 1 0.50000000 0.50000000 0.12465100 1.0 Nb Nb25 1 0.00000000 0.00000000 0.25049000 1.0 Nb Nb26 1 0.50000000 0.50000000 0.37516100 1.0 Nb Nb27 1 0.50000000 0.50000000 0.62456200 1.0 Nb Nb28 1 0.00000000 0.00000000 0.87434700 1.0 Sn Sn29 1 0.00000000 0.00000000 0.49991800 1.0 Sn Sn30 1 0.00000000 0.00000000 0.75006600 1.0 Sn Sn31 1 0.50000000 0.50000000 0.00047600 1.0 O O32 1 0.00000000 0.00000000 0.06312000 1.0 O O33 1 0.72616900 0.25649500 0.12569500 1.0 O O34 1 0.25649500 0.27383100 0.12569500 1.0 O O35 1 0.50000000 0.50000000 0.18382900 1.0 O O36 1 0.50000000 0.50000000 0.06460800 1.0 O O37 1 0.74350500 0.72616900 0.12569500 1.0 O O38 1 0.22708200 0.75538100 0.24991700 1.0 O O39 1 0.27383100 0.74350500 0.12569500 1.0 O O40 1 0.75538100 0.77291800 0.24991700 1.0 O O41 1 0.00000000 0.00000000 0.30915900 1.0 O O42 1 0.00000000 0.00000000 0.19184800 1.0 O O43 1 0.24461900 0.22708200 0.24991700 1.0 O O44 1 0.72659800 0.25589100 0.37427300 1.0 O O45 1 0.77291800 0.24461900 0.24991700 1.0 O O46 1 0.25589100 0.27340200 0.37427300 1.0 O O47 1 0.50000000 0.50000000 0.43347000 1.0 O O48 1 0.50000000 0.50000000 0.31545500 1.0 O O49 1 0.74410900 0.72659800 0.37427300 1.0 O O50 1 0.23260000 0.75010500 0.49988300 1.0 O O51 1 0.27340200 0.74410900 0.37427300 1.0 O O52 1 0.75010500 0.76740000 0.49988300 1.0 O O53 1 0.00000000 0.00000000 0.56052300 1.0 O O54 1 0.00000000 0.00000000 0.43920500 1.0 O O55 1 0.24989500 0.23260000 0.49988300 1.0 O O56 1 0.72679800 0.25597000 0.62504800 1.0 O O57 1 0.76740000 0.24989500 0.49988300 1.0 O O58 1 0.25597000 0.27320200 0.62504800 1.0 O O59 1 0.50000000 0.50000000 0.68299300 1.0 O O60 1 0.50000000 0.50000000 0.56594500 1.0 O O61 1 0.74403000 0.72679800 0.62504800 1.0 O O62 1 0.23117600 0.75216600 0.75015400 1.0 O O63 1 0.27320200 0.74403000 0.62504800 1.0 O O64 1 0.75216600 0.76882400 0.75015400 1.0 O O65 1 0.00000000 0.00000000 0.81443500 1.0 O O66 1 0.00000000 0.00000000 0.68945400 1.0 O O67 1 0.24783400 0.23117600 0.75015400 1.0 O O68 1 0.75629700 0.22656700 0.87462000 1.0 O O69 1 0.76882400 0.24783400 0.75015400 1.0 O O70 1 0.22656700 0.24370300 0.87462000 1.0 O O71 1 0.50000000 0.50000000 0.94041100 1.0 O O72 1 0.50000000 0.50000000 0.81240000 1.0 O O73 1 0.77343300 0.75629700 0.87462000 1.0 O O74 1 0.25125800 0.73200000 0.00049700 1.0 O O75 1 0.24370300 0.77343300 0.87462000 1.0 O O76 1 0.73200000 0.74874200 0.00049700 1.0 O O77 1 0.00000000 0.00000000 0.93223700 1.0 O O78 1 0.26800000 0.25125800 0.00049700 1.0 O O79 1 0.74874200 0.26800000 0.00049700 1.0