# generated using pymatgen data_Bi24Br10O31 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.57780400 _cell_length_b 15.50291879 _cell_length_c 8.06187459 _cell_angle_alpha 97.59866403 _cell_angle_beta 90.27949117 _cell_angle_gamma 90.28126305 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi24Br10O31 _chemical_formula_sum 'Bi24 Br10 O31' _cell_volume 1310.39580541 _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 Bi Bi0 1 0.69592300 0.67849100 0.08269100 1.0 Bi Bi1 1 0.69141900 0.14693100 0.05856700 1.0 Bi Bi2 1 0.09500700 0.46355600 0.06754000 1.0 Bi Bi3 1 0.08793400 0.98369100 0.07427200 1.0 Bi Bi4 1 0.93134300 0.72482600 0.25026500 1.0 Bi Bi5 1 0.93012800 0.22443700 0.20718400 1.0 Bi Bi6 1 0.35220200 0.61023300 0.25147700 1.0 Bi Bi7 1 0.35277300 0.11167200 0.25427500 1.0 Bi Bi8 1 0.17178900 0.80136700 0.38684400 1.0 Bi Bi9 1 0.17273800 0.29972500 0.39008300 1.0 Bi Bi10 1 0.59164000 0.15053000 0.43530700 1.0 Bi Bi11 1 0.59391900 0.65219200 0.44896800 1.0 Bi Bi12 1 0.40768200 0.85695000 0.54936700 1.0 Bi Bi13 1 0.40879800 0.35688100 0.54996800 1.0 Bi Bi14 1 0.82452100 0.71001600 0.61161000 1.0 Bi Bi15 1 0.83039000 0.21336500 0.60214800 1.0 Bi Bi16 1 0.65248700 0.94573100 0.74776000 1.0 Bi Bi17 1 0.65412300 0.41445700 0.75097800 1.0 Bi Bi18 1 0.06461000 0.76493000 0.79109100 1.0 Bi Bi19 1 0.06660300 0.27688400 0.75227800 1.0 Bi Bi20 1 0.89834900 0.99915800 0.89825400 1.0 Bi Bi21 1 0.88524400 0.51716400 0.94302500 1.0 Bi Bi22 1 0.31208500 0.81265600 0.91085900 1.0 Bi Bi23 1 0.30598700 0.31971300 0.91072100 1.0 Br Br24 1 0.53050100 0.88123000 0.20613500 1.0 Br Br25 1 0.53101800 0.38036100 0.19917800 1.0 Br Br26 1 0.75617900 0.43886600 0.35715300 1.0 Br Br27 1 0.75789700 0.93986800 0.34323600 1.0 Br Br28 1 0.00263300 0.00302500 0.49964500 1.0 Br Br29 1 0.99833600 0.50611200 0.50915200 1.0 Br Br30 1 0.24531300 0.06890600 0.65199200 1.0 Br Br31 1 0.24584100 0.57024900 0.65734700 1.0 Br Br32 1 0.46720700 0.59864500 0.83673500 1.0 Br Br33 1 0.45469800 0.09999300 0.84472900 1.0 O O34 1 0.00747400 0.76671000 0.97718400 1.0 O O35 1 0.00120200 0.23340000 0.02898500 1.0 O O36 1 0.83373200 0.68901800 0.08926500 1.0 O O37 1 0.82619900 0.23125700 0.05284500 1.0 O O38 1 0.95224600 0.96437900 0.15420500 1.0 O O39 1 0.96022200 0.50338600 0.14094100 1.0 O O40 1 0.31947400 0.80654100 0.10646600 1.0 O O41 1 0.31061900 0.31822000 0.10664300 1.0 O O42 1 0.08143300 0.77834800 0.23040700 1.0 O O43 1 0.08572600 0.27785900 0.23519300 1.0 O O44 1 0.21392200 0.56003300 0.30565700 1.0 O O45 1 0.21345200 0.05786300 0.30279400 1.0 O O46 1 0.32918400 0.83609300 0.37277700 1.0 O O47 1 0.32880800 0.33318200 0.37431100 1.0 O O48 1 0.44329700 0.61517200 0.46447100 1.0 O O49 1 0.44138400 0.11424900 0.45857700 1.0 O O50 1 0.55345100 0.38906700 0.52807400 1.0 O O51 1 0.55333300 0.89489800 0.53399400 1.0 O O52 1 0.67687700 0.68032900 0.62958400 1.0 O O53 1 0.67534000 0.16386100 0.61190900 1.0 O O54 1 0.79181700 0.96151900 0.70610300 1.0 O O55 1 0.79090400 0.44560900 0.68882400 1.0 O O56 1 0.91753300 0.22258800 0.76566800 1.0 O O57 1 0.90274500 0.73990600 0.78287700 1.0 O O58 1 0.71751900 0.53887600 0.91951100 1.0 O O59 1 0.68064700 0.18779800 0.86129600 1.0 O O60 1 0.03976300 0.03151200 0.84205300 1.0 O O61 1 0.03733800 0.49408900 0.86144000 1.0 O O62 1 0.17923000 0.83238200 0.92540000 1.0 O O63 1 0.16974100 0.30629800 0.91571200 1.0 O O64 1 0.70643800 0.90583200 0.97449800 1.0