# generated using pymatgen data_MgCoBi2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 15.01808500 _cell_length_b 7.17368800 _cell_length_c 11.58337929 _cell_angle_alpha 77.75889542 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCoBi2O7 _chemical_formula_sum 'Mg8 Co8 Bi16 O56' _cell_volume 1219.56299029 _cell_formula_units_Z 8 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 Mg Mg0 1 0.49064500 0.94870700 0.86444500 1.0 Mg Mg1 1 0.89152400 0.79269500 0.88780000 1.0 Mg Mg2 1 0.39152400 0.20730500 0.61220000 1.0 Mg Mg3 1 0.10847600 0.20730500 0.11220000 1.0 Mg Mg4 1 0.60847600 0.79269500 0.38780000 1.0 Mg Mg5 1 0.00935500 0.94870700 0.36444500 1.0 Mg Mg6 1 0.50935500 0.05129300 0.13555500 1.0 Mg Mg7 1 0.99064500 0.05129300 0.63555500 1.0 Co Co8 1 0.67545300 0.34451400 0.08825000 1.0 Co Co9 1 0.17545300 0.65548600 0.41175000 1.0 Co Co10 1 0.32454700 0.65548600 0.91175000 1.0 Co Co11 1 0.82454700 0.34451400 0.58825000 1.0 Co Co12 1 0.74940900 0.00426400 0.25698900 1.0 Co Co13 1 0.24940900 0.99573600 0.24301100 1.0 Co Co14 1 0.25059100 0.99573600 0.74301100 1.0 Co Co15 1 0.75059100 0.00426400 0.75698900 1.0 Bi Bi16 1 0.90236700 0.12628600 0.03407100 1.0 Bi Bi17 1 0.99400100 0.58592300 0.66339100 1.0 Bi Bi18 1 0.50599900 0.58592300 0.16339100 1.0 Bi Bi19 1 0.00599900 0.41407700 0.33660900 1.0 Bi Bi20 1 0.71617900 0.47822300 0.80807700 1.0 Bi Bi21 1 0.21617900 0.52177700 0.69192300 1.0 Bi Bi22 1 0.28382100 0.52177700 0.19192300 1.0 Bi Bi23 1 0.78382100 0.47822300 0.30807700 1.0 Bi Bi24 1 0.49400100 0.41407700 0.83660900 1.0 Bi Bi25 1 0.19777800 0.12535900 0.48462800 1.0 Bi Bi26 1 0.69777800 0.87464100 0.01537200 1.0 Bi Bi27 1 0.80222200 0.87464100 0.51537200 1.0 Bi Bi28 1 0.40236700 0.87371400 0.46592900 1.0 Bi Bi29 1 0.59763300 0.12628600 0.53407100 1.0 Bi Bi30 1 0.09763300 0.87371400 0.96592900 1.0 Bi Bi31 1 0.30222200 0.12535900 0.98462800 1.0 O O32 1 0.04403000 0.16280300 0.97576700 1.0 O O33 1 0.54403000 0.83719700 0.52423300 1.0 O O34 1 0.95597000 0.83719700 0.02423300 1.0 O O35 1 0.45597000 0.16280300 0.47576700 1.0 O O36 1 0.81721400 0.02719300 0.89487000 1.0 O O37 1 0.31721400 0.97280700 0.60513000 1.0 O O38 1 0.18278600 0.97280700 0.10513000 1.0 O O39 1 0.68278600 0.02719300 0.39487000 1.0 O O40 1 0.80886000 0.91772900 0.14046000 1.0 O O41 1 0.30886000 0.08227100 0.35954000 1.0 O O42 1 0.19114000 0.08227100 0.85954000 1.0 O O43 1 0.69114000 0.91772900 0.64046000 1.0 O O44 1 0.31512300 0.41809900 0.87104300 1.0 O O45 1 0.81512300 0.58190100 0.62895700 1.0 O O46 1 0.68487700 0.58190100 0.12895700 1.0 O O47 1 0.18487700 0.41809900 0.37104300 1.0 O O48 1 0.35528600 0.99641800 0.15309500 1.0 O O49 1 0.85528600 0.00358200 0.34690500 1.0 O O50 1 0.64471400 0.00358200 0.84690500 1.0 O O51 1 0.14471400 0.99641800 0.65309500 1.0 O O52 1 0.34704100 0.93927100 0.87068000 1.0 O O53 1 0.43361200 0.68572000 0.81998100 1.0 O O54 1 0.84704100 0.06072900 0.62932000 1.0 O O55 1 0.15295900 0.93927100 0.37068000 1.0 O O56 1 0.48262400 0.20138100 0.73085700 1.0 O O57 1 0.98262400 0.79861900 0.76914300 1.0 O O58 1 0.51737600 0.79861900 0.26914300 1.0 O O59 1 0.01737600 0.20138100 0.23085700 1.0 O O60 1 0.45748000 0.17088400 0.97094100 1.0 O O61 1 0.95748000 0.82911600 0.52905900 1.0 O O62 1 0.54252000 0.82911600 0.02905900 1.0 O O63 1 0.04252000 0.17088400 0.47094100 1.0 O O64 1 0.90533700 0.53897700 0.21425100 1.0 O O65 1 0.40533700 0.46102300 0.28574900 1.0 O O66 1 0.09466300 0.46102300 0.78574900 1.0 O O67 1 0.59466300 0.53897700 0.71425100 1.0 O O68 1 0.76404000 0.26227400 0.20032300 1.0 O O69 1 0.26404000 0.73772600 0.29967700 1.0 O O70 1 0.23596000 0.73772600 0.79967700 1.0 O O71 1 0.73596000 0.26227400 0.70032300 1.0 O O72 1 0.72543200 0.36102400 0.47864600 1.0 O O73 1 0.22543200 0.63897600 0.02135400 1.0 O O74 1 0.27456800 0.63897600 0.52135400 1.0 O O75 1 0.77456800 0.36102400 0.97864600 1.0 O O76 1 0.73087000 0.74039600 0.34012600 1.0 O O77 1 0.23087000 0.25960400 0.15987400 1.0 O O78 1 0.26913000 0.25960400 0.65987400 1.0 O O79 1 0.76913000 0.74039600 0.84012600 1.0 O O80 1 0.89017700 0.43824900 0.44727100 1.0 O O81 1 0.39017700 0.56175100 0.05272900 1.0 O O82 1 0.10982300 0.56175100 0.55272900 1.0 O O83 1 0.60982300 0.43824900 0.94727100 1.0 O O84 1 0.06638800 0.68572000 0.31998100 1.0 O O85 1 0.56638800 0.31428000 0.18001900 1.0 O O86 1 0.93361200 0.31428000 0.68001900 1.0 O O87 1 0.65295900 0.06072900 0.12932000 1.0