# generated using pymatgen data_Ba8ZrNb19O36 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23082600 _cell_length_b 4.23082600 _cell_length_c 49.78427900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba8ZrNb19O36 _chemical_formula_sum 'Ba8 Zr1 Nb19 O36' _cell_volume 891.13305024 _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 0.00000000 0.00000000 0.20796800 1.0 Ba Ba1 1 0.00000000 0.00000000 0.45798900 1.0 Ba Ba2 1 0.00000000 0.00000000 0.70801000 1.0 Ba Ba3 1 0.00000000 0.00000000 0.95813300 1.0 Ba Ba4 1 0.00000000 0.00000000 0.04186700 1.0 Ba Ba5 1 0.00000000 0.00000000 0.29199000 1.0 Ba Ba6 1 0.00000000 0.00000000 0.54201100 1.0 Ba Ba7 1 0.00000000 0.00000000 0.79203200 1.0 Zr Zr8 1 0.50000000 0.50000000 0.00000000 1.0 Nb Nb9 1 0.50000000 0.00000000 0.12518000 1.0 Nb Nb10 1 0.50000000 0.00000000 0.37499200 1.0 Nb Nb11 1 0.50000000 0.00000000 0.62500800 1.0 Nb Nb12 1 0.50000000 0.00000000 0.87482000 1.0 Nb Nb13 1 0.00000000 0.50000000 0.12518000 1.0 Nb Nb14 1 0.00000000 0.50000000 0.37499200 1.0 Nb Nb15 1 0.00000000 0.50000000 0.62500800 1.0 Nb Nb16 1 0.00000000 0.50000000 0.87482000 1.0 Nb Nb17 1 0.50000000 0.50000000 0.16578000 1.0 Nb Nb18 1 0.50000000 0.50000000 0.41569400 1.0 Nb Nb19 1 0.50000000 0.50000000 0.66571100 1.0 Nb Nb20 1 0.50000000 0.50000000 0.91548400 1.0 Nb Nb21 1 0.50000000 0.50000000 0.08451600 1.0 Nb Nb22 1 0.50000000 0.50000000 0.33428900 1.0 Nb Nb23 1 0.50000000 0.50000000 0.58430600 1.0 Nb Nb24 1 0.50000000 0.50000000 0.83422000 1.0 Nb Nb25 1 0.50000000 0.50000000 0.24999100 1.0 Nb Nb26 1 0.50000000 0.50000000 0.50000000 1.0 Nb Nb27 1 0.50000000 0.50000000 0.75000900 1.0 O O28 1 0.50000000 0.50000000 0.20969200 1.0 O O29 1 0.50000000 0.50000000 0.45966400 1.0 O O30 1 0.50000000 0.50000000 0.70963400 1.0 O O31 1 0.50000000 0.50000000 0.95771100 1.0 O O32 1 0.50000000 0.50000000 0.04228900 1.0 O O33 1 0.50000000 0.50000000 0.29036600 1.0 O O34 1 0.50000000 0.50000000 0.54033600 1.0 O O35 1 0.50000000 0.50000000 0.79030800 1.0 O O36 1 0.00000000 0.50000000 0.00000000 1.0 O O37 1 0.00000000 0.50000000 0.25002600 1.0 O O38 1 0.00000000 0.50000000 0.50000000 1.0 O O39 1 0.00000000 0.50000000 0.74997400 1.0 O O40 1 0.50000000 0.00000000 0.00000000 1.0 O O41 1 0.50000000 0.00000000 0.25002600 1.0 O O42 1 0.50000000 0.00000000 0.50000000 1.0 O O43 1 0.50000000 0.00000000 0.74997400 1.0 O O44 1 0.00000000 0.50000000 0.16807500 1.0 O O45 1 0.00000000 0.50000000 0.41788100 1.0 O O46 1 0.00000000 0.50000000 0.66788000 1.0 O O47 1 0.00000000 0.50000000 0.91750100 1.0 O O48 1 0.50000000 0.00000000 0.16807500 1.0 O O49 1 0.50000000 0.00000000 0.41788100 1.0 O O50 1 0.50000000 0.00000000 0.66788000 1.0 O O51 1 0.50000000 0.00000000 0.91750100 1.0 O O52 1 0.00000000 0.50000000 0.08249900 1.0 O O53 1 0.00000000 0.50000000 0.33212000 1.0 O O54 1 0.00000000 0.50000000 0.58211900 1.0 O O55 1 0.00000000 0.50000000 0.83192500 1.0 O O56 1 0.50000000 0.00000000 0.08249900 1.0 O O57 1 0.50000000 0.00000000 0.33212000 1.0 O O58 1 0.50000000 0.00000000 0.58211900 1.0 O O59 1 0.50000000 0.00000000 0.83192500 1.0 O O60 1 0.00000000 0.00000000 0.12524900 1.0 O O61 1 0.00000000 0.00000000 0.37500600 1.0 O O62 1 0.00000000 0.00000000 0.62499400 1.0 O O63 1 0.00000000 0.00000000 0.87475100 1.0