# generated using pymatgen data_MgCr7(SO4)12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.29758637 _cell_length_b 8.85046864 _cell_length_c 14.70612217 _cell_angle_alpha 85.80567770 _cell_angle_beta 73.64259472 _cell_angle_gamma 117.97917787 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCr7(SO4)12 _chemical_formula_sum 'Mg1 Cr7 S12 O48' _cell_volume 887.89082340 _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 Mg Mg0 1 0.35766300 0.39285900 0.67816000 1.0 Cr Cr1 1 0.15273200 0.37629200 0.07505300 1.0 Cr Cr2 1 0.35422200 0.88941500 0.17817800 1.0 Cr Cr3 1 0.15007100 0.87810100 0.57477500 1.0 Cr Cr4 1 0.64341300 0.60846400 0.32320400 1.0 Cr Cr5 1 0.84872400 0.12237400 0.42449300 1.0 Cr Cr6 1 0.64515600 0.11088800 0.82026400 1.0 Cr Cr7 1 0.84845900 0.62332600 0.92438500 1.0 S S8 1 0.04122900 0.02123400 0.23153500 1.0 S S9 1 0.04072000 0.52358800 0.72976100 1.0 S S10 1 0.46170900 0.87602100 0.37401400 1.0 S S11 1 0.53822600 0.62158500 0.12605200 1.0 S S12 1 0.25176900 0.27120100 0.47809200 1.0 S S13 1 0.25147800 0.76887900 0.97913000 1.0 S S14 1 0.74893900 0.23162600 0.01976400 1.0 S S15 1 0.75021000 0.73211700 0.52050000 1.0 S S16 1 0.46087400 0.37780500 0.87546900 1.0 S S17 1 0.53939000 0.12197900 0.62518900 1.0 S S18 1 0.95835600 0.47834500 0.26867400 1.0 S S19 1 0.95682900 0.97859900 0.76948000 1.0 O O20 1 0.29741700 0.86698600 0.05440400 1.0 O O21 1 0.10744000 0.66411300 0.25760100 1.0 O O22 1 0.01345100 0.13155900 0.16358300 1.0 O O23 1 0.00936600 0.63376400 0.66324600 1.0 O O24 1 0.37844300 0.92446300 0.30789600 1.0 O O25 1 0.02657400 0.07106800 0.32664300 1.0 O O26 1 0.01941300 0.56780800 0.82738400 1.0 O O27 1 0.32614500 0.81850100 0.47645500 1.0 O O28 1 0.34811000 0.45937100 0.14196800 1.0 O O29 1 0.34644800 0.95929600 0.64016800 1.0 O O30 1 0.04564500 0.21198100 0.48934900 1.0 O O31 1 0.04614200 0.71039300 0.99190900 1.0 O O32 1 0.50997100 0.76916600 0.14943600 1.0 O O33 1 0.48511600 0.72585500 0.35038800 1.0 O O34 1 0.23945900 0.04651600 0.18912700 1.0 O O35 1 0.23469000 0.54763400 0.68982400 1.0 O O36 1 0.67314700 0.68078900 0.02343000 1.0 O O37 1 0.38414600 0.38234400 0.37754000 1.0 O O38 1 0.38232200 0.88672100 0.88072600 1.0 O O39 1 0.29661800 0.36682500 0.55249500 1.0 O O40 1 0.10645600 0.15955300 0.75798700 1.0 O O41 1 0.62552900 0.57802500 0.19099800 1.0 O O42 1 0.28099800 0.11566900 0.48725200 1.0 O O43 1 0.28500000 0.61784400 0.98715300 1.0 O O44 1 0.71620400 0.38305700 0.01191600 1.0 O O45 1 0.71687100 0.88407700 0.50931400 1.0 O O46 1 0.37896000 0.42650300 0.81150700 1.0 O O47 1 0.89170100 0.83518800 0.24471700 1.0 O O48 1 0.70238000 0.63334900 0.44481300 1.0 O O49 1 0.61692800 0.11383900 0.11808500 1.0 O O50 1 0.62287500 0.62047200 0.61800400 1.0 O O51 1 0.32721100 0.31422100 0.97971200 1.0 O O52 1 0.76008700 0.45285400 0.30966000 1.0 O O53 1 0.75647500 0.95079900 0.81067600 1.0 O O54 1 0.51422200 0.26908400 0.64740700 1.0 O O55 1 0.49023300 0.23036000 0.85124500 1.0 O O56 1 0.95990500 0.79457100 0.50337700 1.0 O O57 1 0.95405800 0.28928100 0.00770000 1.0 O O58 1 0.65449300 0.03535700 0.35747900 1.0 O O59 1 0.65343300 0.53762600 0.86072900 1.0 O O60 1 0.67431100 0.17699100 0.52222500 1.0 O O61 1 0.97773200 0.43203800 0.17206300 1.0 O O62 1 0.97222400 0.92832800 0.67363600 1.0 O O63 1 0.62118400 0.06908300 0.69120400 1.0 O O64 1 0.98347400 0.36602700 0.33625400 1.0 O O65 1 0.97954700 0.86251000 0.83676800 1.0 O O66 1 0.88771000 0.33784600 0.74269600 1.0 O O67 1 0.70356400 0.13435100 0.94410900 1.0