# generated using pymatgen data_Ba10Li2Bi4O21 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.09874800 _cell_length_b 14.74169900 _cell_length_c 14.85599800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba10Li2Bi4O21 _chemical_formula_sum 'Ba20 Li4 Bi8 O42' _cell_volume 1335.64197893 _cell_formula_units_Z 2 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 0.00185200 0.09010900 1.0 Ba Ba1 1 0.00000000 0.07810800 0.57400800 1.0 Ba Ba2 1 0.50000000 0.16512000 0.21382400 1.0 Ba Ba3 1 0.50000000 0.17398700 0.79650700 1.0 Ba Ba4 1 0.50000000 0.24822200 0.49610500 1.0 Ba Ba5 1 0.00000000 0.24890700 0.99701500 1.0 Ba Ba6 1 0.00000000 0.32356600 0.29840500 1.0 Ba Ba7 1 0.00000000 0.34300000 0.70902400 1.0 Ba Ba8 1 0.50000000 0.40691100 0.08284100 1.0 Ba Ba9 1 0.50000000 0.49497500 0.58654900 1.0 Ba Ba10 1 0.00000000 0.50185200 0.90989100 1.0 Ba Ba11 1 0.00000000 0.57810800 0.42599200 1.0 Ba Ba12 1 0.50000000 0.66512000 0.78617600 1.0 Ba Ba13 1 0.50000000 0.67398700 0.20349300 1.0 Ba Ba14 1 0.50000000 0.74822200 0.50389500 1.0 Ba Ba15 1 0.00000000 0.74890700 0.00298500 1.0 Ba Ba16 1 0.00000000 0.82356600 0.70159500 1.0 Ba Ba17 1 0.00000000 0.84300000 0.29097600 1.0 Ba Ba18 1 0.50000000 0.90691100 0.91715900 1.0 Ba Ba19 1 0.50000000 0.99497500 0.41345100 1.0 Li Li20 1 0.50000000 0.12134900 0.00584200 1.0 Li Li21 1 0.00000000 0.37176300 0.50547200 1.0 Li Li22 1 0.50000000 0.62134900 0.99415800 1.0 Li Li23 1 0.00000000 0.87176300 0.49452800 1.0 Bi Bi24 1 0.00000000 0.03551600 0.84893500 1.0 Bi Bi25 1 0.00000000 0.08577400 0.31721200 1.0 Bi Bi26 1 0.50000000 0.41132700 0.81744600 1.0 Bi Bi27 1 0.50000000 0.45593800 0.34537600 1.0 Bi Bi28 1 0.00000000 0.53551600 0.15106500 1.0 Bi Bi29 1 0.00000000 0.58577400 0.68278800 1.0 Bi Bi30 1 0.50000000 0.91132700 0.18255400 1.0 Bi Bi31 1 0.50000000 0.95593800 0.65462400 1.0 O O32 1 0.24066000 0.02337700 0.74295000 1.0 O O33 1 0.75934000 0.02337700 0.74295000 1.0 O O34 1 0.25041600 0.00006500 0.24843600 1.0 O O35 1 0.74958400 0.00006500 0.24843600 1.0 O O36 1 0.50000000 0.00744100 0.07726900 1.0 O O37 1 0.50000000 0.08396400 0.58609000 1.0 O O38 1 0.76256600 0.10467500 0.92684100 1.0 O O39 1 0.23743400 0.10467500 0.92684100 1.0 O O40 1 0.25501300 0.16006600 0.37559500 1.0 O O41 1 0.74498700 0.16006600 0.37559500 1.0 O O42 1 0.00000000 0.16572500 0.19511000 1.0 O O43 1 0.50000000 0.23965600 0.05851000 1.0 O O44 1 0.00000000 0.25338300 0.56687900 1.0 O O45 1 0.50000000 0.34480800 0.25605100 1.0 O O46 1 0.50000000 0.33367300 0.69423600 1.0 O O47 1 0.76108900 0.33422800 0.86946100 1.0 O O48 1 0.23891100 0.33422800 0.86946100 1.0 O O49 1 0.25621400 0.40070900 0.43009100 1.0 O O50 1 0.74378600 0.40070900 0.43009100 1.0 O O51 1 0.00000000 0.40837000 0.08948600 1.0 O O52 1 0.00000000 0.48352000 0.58385400 1.0 O O53 1 0.24066000 0.52337700 0.25705000 1.0 O O54 1 0.75934000 0.52337700 0.25705000 1.0 O O55 1 0.25041600 0.50006500 0.75156400 1.0 O O56 1 0.74958400 0.50006500 0.75156400 1.0 O O57 1 0.50000000 0.50744100 0.92273100 1.0 O O58 1 0.50000000 0.58396400 0.41391000 1.0 O O59 1 0.76256600 0.60467500 0.07315900 1.0 O O60 1 0.23743400 0.60467500 0.07315900 1.0 O O61 1 0.25501300 0.66006600 0.62440500 1.0 O O62 1 0.74498700 0.66006600 0.62440500 1.0 O O63 1 0.00000000 0.66572500 0.80489000 1.0 O O64 1 0.50000000 0.73965600 0.94149000 1.0 O O65 1 0.00000000 0.75338300 0.43312100 1.0 O O66 1 0.50000000 0.84480800 0.74394900 1.0 O O67 1 0.50000000 0.83367300 0.30576400 1.0 O O68 1 0.76108900 0.83422800 0.13053900 1.0 O O69 1 0.23891100 0.83422800 0.13053900 1.0 O O70 1 0.25621400 0.90070900 0.56990900 1.0 O O71 1 0.74378600 0.90070900 0.56990900 1.0 O O72 1 0.00000000 0.90837000 0.91051400 1.0 O O73 1 0.00000000 0.98352000 0.41614600 1.0