# generated using pymatgen data_MgCr7(SO4)12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.29758600 _cell_length_b 8.84727194 _cell_length_c 14.37962565 _cell_angle_alpha 105.68269336 _cell_angle_beta 89.98515770 _cell_angle_gamma 117.94017637 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCr7(SO4)12 _chemical_formula_sum 'Mg1 Cr7 S12 O48' _cell_volume 887.89083382 _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 0.96480300 0.28530000 0.32184000 1.0 Cr Cr1 1 0.77644000 0.69876000 0.92494700 1.0 Cr Cr2 1 0.46480700 0.28876300 0.82182200 1.0 Cr Cr3 1 0.27197000 0.69667400 0.42522500 1.0 Cr Cr4 1 0.03494900 0.71474000 0.67679600 1.0 Cr Cr5 1 0.72634900 0.30211800 0.57550700 1.0 Cr Cr6 1 0.53426800 0.70937600 0.17973600 1.0 Cr Cr7 1 0.22513300 0.30105900 0.07561500 1.0 S S8 1 0.01999500 0.21030200 0.76846500 1.0 S S9 1 0.51713300 0.20617300 0.27023900 1.0 S S10 1 0.58568800 0.49799300 0.62598600 1.0 S S11 1 0.91664200 0.50446700 0.87394800 1.0 S S12 1 0.98056800 0.20689100 0.52190800 1.0 S S13 1 0.48259900 0.21025100 0.02087000 1.0 S S14 1 0.51731300 0.78813800 0.98023600 1.0 S S15 1 0.01809400 0.78838300 0.47950000 1.0 S S16 1 0.08307000 0.49766400 0.12453100 1.0 S S17 1 0.41741100 0.50321000 0.37481100 1.0 S S18 1 0.48001200 0.79032900 0.73132600 1.0 S S19 1 0.97823000 0.79088100 0.23052000 1.0 O O20 1 0.43043100 0.18741900 0.94559600 1.0 O O21 1 0.44332700 0.59348700 0.74239900 1.0 O O22 1 0.88189200 0.03202300 0.83641700 1.0 O O23 1 0.37560100 0.02948100 0.33675400 1.0 O O24 1 0.45397900 0.38343200 0.69210400 1.0 O O25 1 0.95550600 0.25557500 0.67335700 1.0 O O26 1 0.45160500 0.25957700 0.17261600 1.0 O O27 1 0.50764400 0.65795400 0.52354500 1.0 O O28 1 0.88873900 0.68259700 0.85803200 1.0 O O29 1 0.38715200 0.68087200 0.35983200 1.0 O O30 1 0.83366400 0.27736800 0.51065100 1.0 O O31 1 0.33574900 0.28151500 0.00809100 1.0 O O32 1 0.74080500 0.38027000 0.85056400 1.0 O O33 1 0.75926100 0.62453300 0.64961200 1.0 O O34 1 0.19294300 0.14261200 0.81087300 1.0 O O35 1 0.68705600 0.14219000 0.31017600 1.0 O O36 1 0.99235800 0.34264200 0.97657000 1.0 O O37 1 0.00180200 0.99519600 0.62246000 1.0 O O38 1 0.49560100 0.99400500 0.11927400 1.0 O O39 1 0.92979400 0.18567000 0.44750500 1.0 O O40 1 0.94690300 0.59843300 0.24201300 1.0 O O41 1 0.04750400 0.61297200 0.80900200 1.0 O O42 1 0.16532900 0.37158300 0.51274800 1.0 O O43 1 0.66715600 0.36931000 0.01284700 1.0 O O44 1 0.33314700 0.62885900 0.98808400 1.0 O O45 1 0.83279400 0.62523700 0.49068600 1.0 O O46 1 0.95245700 0.38500400 0.18849300 1.0 O O47 1 0.05651200 0.40952900 0.75528300 1.0 O O48 1 0.06903200 0.81146400 0.55518700 1.0 O O49 1 0.50308900 0.00424500 0.88191500 1.0 O O50 1 0.00240300 0.99753200 0.38199600 1.0 O O51 1 0.01299000 0.66549100 0.02028800 1.0 O O52 1 0.30723200 0.85680600 0.69034000 1.0 O O53 1 0.80567600 0.85987700 0.18932400 1.0 O O54 1 0.24513800 0.37832300 0.35259300 1.0 O O55 1 0.25987300 0.62088500 0.14875500 1.0 O O56 1 0.16533300 0.70880600 0.49662300 1.0 O O57 1 0.66477700 0.71841800 0.99230000 1.0 O O58 1 0.61913600 0.32212200 0.64252100 1.0 O O59 1 0.11580700 0.32310200 0.13927100 1.0 O O60 1 0.49732000 0.34523400 0.47777500 1.0 O O61 1 0.54569400 0.74002500 0.82793700 1.0 O O62 1 0.04389700 0.74530900 0.32636400 1.0 O O63 1 0.55210100 0.62212100 0.30879600 1.0 O O64 1 0.61744700 0.97022700 0.66374600 1.0 O O65 1 0.11703600 0.97425800 0.16323200 1.0 O O66 1 0.54986400 0.40484900 0.25730400 1.0 O O67 1 0.56921300 0.80975800 0.05589100 1.0