# generated using pymatgen data_MgCo3O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.43343500 _cell_length_b 6.66389300 _cell_length_c 11.18629358 _cell_angle_alpha 77.18955539 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCo3O7 _chemical_formula_sum 'Mg8 Co24 O56' _cell_volume 976.45998228 _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 0.50881700 0.91114000 0.73072700 1.0 Mg Mg1 1 0.86863800 0.69760100 0.94570400 1.0 Mg Mg2 1 0.36863800 0.30239900 0.55429600 1.0 Mg Mg3 1 0.13136200 0.30239900 0.05429600 1.0 Mg Mg4 1 0.63136200 0.69760100 0.44570400 1.0 Mg Mg5 1 0.99118300 0.91114000 0.23072700 1.0 Mg Mg6 1 0.49118300 0.08886000 0.26927300 1.0 Mg Mg7 1 0.00881700 0.08886000 0.76927300 1.0 Co Co8 1 0.87920500 0.16882900 0.98226500 1.0 Co Co9 1 0.01631600 0.60193300 0.69010800 1.0 Co Co10 1 0.48368400 0.60193300 0.19010800 1.0 Co Co11 1 0.98368400 0.39806700 0.30989200 1.0 Co Co12 1 0.71072500 0.50589100 0.79967000 1.0 Co Co13 1 0.21072500 0.49410900 0.70033000 1.0 Co Co14 1 0.28927500 0.49410900 0.20033000 1.0 Co Co15 1 0.78927500 0.50589100 0.29967000 1.0 Co Co16 1 0.51631600 0.39806700 0.80989200 1.0 Co Co17 1 0.14707700 0.12002100 0.48087800 1.0 Co Co18 1 0.64707700 0.87997900 0.01912200 1.0 Co Co19 1 0.85292300 0.87997900 0.51912200 1.0 Co Co20 1 0.37920500 0.83117100 0.51773500 1.0 Co Co21 1 0.62079500 0.16882900 0.48226500 1.0 Co Co22 1 0.12079500 0.83117100 0.01773500 1.0 Co Co23 1 0.35292300 0.12002100 0.98087800 1.0 Co Co24 1 0.67434500 0.37042200 0.08250100 1.0 Co Co25 1 0.17434500 0.62957800 0.41749900 1.0 Co Co26 1 0.32565500 0.62957800 0.91749900 1.0 Co Co27 1 0.82565500 0.37042200 0.58250100 1.0 Co Co28 1 0.75910500 0.01457000 0.24945800 1.0 Co Co29 1 0.25910500 0.98543000 0.25054200 1.0 Co Co30 1 0.24089500 0.98543000 0.75054200 1.0 Co Co31 1 0.74089500 0.01457000 0.74945800 1.0 O O32 1 0.00498900 0.23250300 0.96263400 1.0 O O33 1 0.50498900 0.76749700 0.53736600 1.0 O O34 1 0.99501100 0.76749700 0.03736600 1.0 O O35 1 0.49501100 0.23250300 0.46263400 1.0 O O36 1 0.85251900 0.01896400 0.86650500 1.0 O O37 1 0.35251900 0.98103600 0.63349500 1.0 O O38 1 0.14748100 0.98103600 0.13349500 1.0 O O39 1 0.64748100 0.01896400 0.36650500 1.0 O O40 1 0.86083500 0.01071400 0.13665900 1.0 O O41 1 0.36083500 0.98928600 0.36334100 1.0 O O42 1 0.13916500 0.98928600 0.86334100 1.0 O O43 1 0.63916500 0.01071400 0.63665900 1.0 O O44 1 0.27062000 0.33266100 0.94831800 1.0 O O45 1 0.77062000 0.66733900 0.55168200 1.0 O O46 1 0.72938000 0.66733900 0.05168200 1.0 O O47 1 0.22938000 0.33266100 0.44831800 1.0 O O48 1 0.36582500 0.02415200 0.14097300 1.0 O O49 1 0.86582500 0.97584800 0.35902700 1.0 O O50 1 0.63417500 0.97584800 0.85902700 1.0 O O51 1 0.13417500 0.02415200 0.64097300 1.0 O O52 1 0.33309700 0.93157700 0.88320900 1.0 O O53 1 0.43999100 0.63244600 0.82690100 1.0 O O54 1 0.83309700 0.06842300 0.61679100 1.0 O O55 1 0.16690300 0.93157700 0.38320900 1.0 O O56 1 0.47894400 0.25854900 0.70605800 1.0 O O57 1 0.97894400 0.74145100 0.79394200 1.0 O O58 1 0.52105600 0.74145100 0.29394200 1.0 O O59 1 0.02105600 0.25854900 0.20605800 1.0 O O60 1 0.47252400 0.20959000 0.94379100 1.0 O O61 1 0.97252400 0.79041000 0.55620900 1.0 O O62 1 0.52747600 0.79041000 0.05620900 1.0 O O63 1 0.02747600 0.20959000 0.44379100 1.0 O O64 1 0.90031400 0.59263500 0.20986000 1.0 O O65 1 0.40031400 0.40736500 0.29014000 1.0 O O66 1 0.09968600 0.40736500 0.79014000 1.0 O O67 1 0.59968600 0.59263500 0.70986000 1.0 O O68 1 0.76169100 0.30035300 0.21800000 1.0 O O69 1 0.26169100 0.69964700 0.28200000 1.0 O O70 1 0.23830900 0.69964700 0.78200000 1.0 O O71 1 0.73830900 0.30035300 0.71800000 1.0 O O72 1 0.69501500 0.40129700 0.44995400 1.0 O O73 1 0.19501500 0.59870300 0.05004600 1.0 O O74 1 0.30498500 0.59870300 0.55004600 1.0 O O75 1 0.80498500 0.40129700 0.94995400 1.0 O O76 1 0.72767400 0.74150200 0.28887000 1.0 O O77 1 0.22767400 0.25849800 0.21113000 1.0 O O78 1 0.27232600 0.25849800 0.71113000 1.0 O O79 1 0.77232600 0.74150200 0.78887000 1.0 O O80 1 0.88204000 0.42671000 0.42051500 1.0 O O81 1 0.38204000 0.57329000 0.07948500 1.0 O O82 1 0.11796000 0.57329000 0.57948500 1.0 O O83 1 0.61796000 0.42671000 0.92051500 1.0 O O84 1 0.06000900 0.63244600 0.32690100 1.0 O O85 1 0.56000900 0.36755400 0.17309900 1.0 O O86 1 0.93999100 0.36755400 0.67309900 1.0 O O87 1 0.66690300 0.06842300 0.11679100 1.0