# generated using pymatgen data_Mg2Fe2(SiO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.08631252 _cell_length_b 10.08631252 _cell_length_c 10.08631252 _cell_angle_alpha 109.63218995 _cell_angle_beta 109.63218995 _cell_angle_gamma 109.14975947 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2Fe2(SiO4)3 _chemical_formula_sum 'Mg8 Fe8 Si12 O48' _cell_volume 789.88728660 _cell_formula_units_Z 4 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 0.62500000 0.25381800 0.12881800 1.0 Mg Mg1 1 0.12500000 0.49618200 0.87118200 1.0 Mg Mg2 1 0.00381800 0.37500000 0.12881800 1.0 Mg Mg3 1 0.24618200 0.87500000 0.87118200 1.0 Mg Mg4 1 0.12500000 0.99618200 0.37118200 1.0 Mg Mg5 1 0.62500000 0.75381800 0.62881800 1.0 Mg Mg6 1 0.74618200 0.87500000 0.37118200 1.0 Mg Mg7 1 0.50381800 0.37500000 0.62881800 1.0 Fe Fe8 1 0.37500000 0.62500000 0.25000000 1.0 Fe Fe9 1 0.37500000 0.12500000 0.25000000 1.0 Fe Fe10 1 0.87500000 0.62500000 0.25000000 1.0 Fe Fe11 1 0.87500000 0.12500000 0.25000000 1.0 Fe Fe12 1 0.87500000 0.62500000 0.75000000 1.0 Fe Fe13 1 0.37500000 0.12500000 0.75000000 1.0 Fe Fe14 1 0.87500000 0.12500000 0.75000000 1.0 Fe Fe15 1 0.37500000 0.62500000 0.75000000 1.0 Si Si16 1 0.75000000 0.25000000 0.50000000 1.0 Si Si17 1 0.12500000 0.75088800 0.12588800 1.0 Si Si18 1 0.24911200 0.37500000 0.37411200 1.0 Si Si19 1 0.62500000 0.99911200 0.87411200 1.0 Si Si20 1 0.74911200 0.37500000 0.87411200 1.0 Si Si21 1 0.00088800 0.87500000 0.62588800 1.0 Si Si22 1 0.25000000 0.75000000 0.50000000 1.0 Si Si23 1 0.50088800 0.87500000 0.12588800 1.0 Si Si24 1 0.50000000 0.50000000 0.00000000 1.0 Si Si25 1 0.62500000 0.49911200 0.37411200 1.0 Si Si26 1 0.12500000 0.25088800 0.62588800 1.0 Si Si27 1 0.00000000 0.00000000 0.00000000 1.0 O O28 1 0.56568500 0.22202400 0.45484200 1.0 O O29 1 0.98236900 0.10693900 0.43489600 1.0 O O30 1 0.57795700 0.64306100 0.37543000 1.0 O O31 1 0.49820400 0.82346100 0.26337800 1.0 O O32 1 0.75179600 0.51517300 0.82525600 1.0 O O33 1 0.97202400 0.01718300 0.15633900 1.0 O O34 1 0.86084300 0.81568500 0.84366100 1.0 O O35 1 0.29747300 0.23236900 0.37543000 1.0 O O36 1 0.26517300 0.93991700 0.26337800 1.0 O O37 1 0.85693900 0.92204300 0.62457000 1.0 O O38 1 0.98482700 0.74820400 0.17474400 1.0 O O39 1 0.39306100 0.51763100 0.56510400 1.0 O O40 1 0.67653900 0.00179600 0.73662200 1.0 O O41 1 0.57346100 0.81008300 0.82525600 1.0 O O42 1 0.95252700 0.82795700 0.43489600 1.0 O O43 1 0.48281700 0.52797600 0.84366100 1.0 O O44 1 0.67204300 0.54747300 0.56510400 1.0 O O45 1 0.68431500 0.63915700 0.15633900 1.0 O O46 1 0.68991700 0.92653900 0.17474400 1.0 O O47 1 0.76718300 0.11084300 0.54515800 1.0 O O48 1 0.27797600 0.93431500 0.54515800 1.0 O O49 1 0.26763100 0.20252700 0.62457000 1.0 O O50 1 0.56008300 0.23482700 0.73662200 1.0 O O51 1 0.38915700 0.73281700 0.45484200 1.0 O O52 1 0.18431500 0.02797600 0.04515800 1.0 O O53 1 0.76763100 0.14306100 0.06510400 1.0 O O54 1 0.17204300 0.60693900 0.12457000 1.0 O O55 1 0.25179600 0.42653900 0.23662200 1.0 O O56 1 0.99820400 0.73482700 0.67474400 1.0 O O57 1 0.77797600 0.23281700 0.34366100 1.0 O O58 1 0.88915700 0.43431500 0.65633900 1.0 O O59 1 0.45252700 0.01763100 0.12457000 1.0 O O60 1 0.48482700 0.31008300 0.23662200 1.0 O O61 1 0.89306100 0.32795700 0.87543000 1.0 O O62 1 0.76517300 0.50179600 0.32525600 1.0 O O63 1 0.35693900 0.73236900 0.93489600 1.0 O O64 1 0.07346100 0.24820400 0.76337800 1.0 O O65 1 0.17653900 0.43991700 0.67474400 1.0 O O66 1 0.79747300 0.42204300 0.06510400 1.0 O O67 1 0.26718300 0.72202400 0.65633900 1.0 O O68 1 0.07795700 0.70252700 0.93489600 1.0 O O69 1 0.06568500 0.61084300 0.34366100 1.0 O O70 1 0.06008300 0.32346100 0.32525600 1.0 O O71 1 0.98281700 0.13915700 0.95484200 1.0 O O72 1 0.47202400 0.31568500 0.95484200 1.0 O O73 1 0.48236900 0.04747300 0.87543000 1.0 O O74 1 0.18991700 0.01517300 0.76337800 1.0 O O75 1 0.36084300 0.51718300 0.04515800 1.0