# generated using pymatgen data_Mn2Fe3(SiO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.12908652 _cell_length_b 10.12908652 _cell_length_c 10.12908652 _cell_angle_alpha 109.47136614 _cell_angle_beta 109.47136614 _cell_angle_gamma 109.47136614 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2Fe3(SiO4)3 _chemical_formula_sum 'Mn8 Fe12 Si12 O48' _cell_volume 799.99378194 _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 Mn Mn0 1 0.00000000 0.50000000 -0.00000000 1.0 Mn Mn1 1 0.50000000 0.50000000 0.50000000 1.0 Mn Mn2 1 0.00000000 -0.00000000 -0.00000000 1.0 Mn Mn3 1 0.00000000 -0.00000000 0.50000000 1.0 Mn Mn4 1 0.00000000 0.50000000 0.50000000 1.0 Mn Mn5 1 0.50000000 0.50000000 -0.00000000 1.0 Mn Mn6 1 0.50000000 -0.00000000 0.50000000 1.0 Mn Mn7 1 0.50000000 -0.00000000 -0.00000000 1.0 Fe Fe8 1 0.12505826 0.25011486 0.37512060 1.0 Fe Fe9 1 0.74999990 0.12504407 0.37505722 1.0 Fe Fe10 1 0.25000010 0.87495593 0.62494278 1.0 Fe Fe11 1 0.37505722 0.74999990 0.12504407 1.0 Fe Fe12 1 0.87495593 0.62494278 0.25000010 1.0 Fe Fe13 1 0.74988514 0.62487940 0.87494174 1.0 Fe Fe14 1 0.62494278 0.25000010 0.87495593 1.0 Fe Fe15 1 0.87494174 0.74988514 0.62487940 1.0 Fe Fe16 1 0.12504407 0.37505722 0.74999990 1.0 Fe Fe17 1 0.62487940 0.87494174 0.74988514 1.0 Fe Fe18 1 0.37512060 0.12505826 0.25011486 1.0 Fe Fe19 1 0.25011486 0.37512060 0.12505826 1.0 Si Si20 1 0.87499563 0.25000960 0.12501514 1.0 Si Si21 1 0.12500437 0.74999040 0.87498486 1.0 Si Si22 1 0.75000979 0.37500975 0.62498835 1.0 Si Si23 1 0.37500975 0.62498835 0.75000979 1.0 Si Si24 1 0.62499025 0.37501165 0.24999021 1.0 Si Si25 1 0.62498835 0.75000979 0.37500975 1.0 Si Si26 1 0.87498486 0.12500437 0.74999040 1.0 Si Si27 1 0.24999021 0.62499025 0.37501165 1.0 Si Si28 1 0.25000960 0.12501514 0.87499563 1.0 Si Si29 1 0.12501514 0.87499563 0.25000960 1.0 Si Si30 1 0.37501165 0.24999021 0.62499025 1.0 Si Si31 1 0.74999040 0.87498486 0.12500437 1.0 O O32 1 0.40798379 0.10215174 0.62497197 1.0 O O33 1 0.52280791 0.39783560 0.80575463 1.0 O O34 1 0.10215174 0.62497197 0.40798379 1.0 O O35 1 0.89784826 0.37502803 0.59201621 1.0 O O36 1 0.28300871 0.47720177 0.37506009 1.0 O O37 1 0.59201621 0.89784826 0.37502803 1.0 O O38 1 0.21709127 0.59207707 0.19425575 1.0 O O39 1 0.02291212 0.30578399 0.89785004 1.0 O O40 1 0.47720177 0.37506009 0.28300871 1.0 O O41 1 0.69421601 0.10214996 0.97708788 1.0 O O42 1 0.37506009 0.28300871 0.47720177 1.0 O O43 1 0.12509574 0.02292278 0.21721916 1.0 O O44 1 0.21721916 0.12509574 0.02292278 1.0 O O45 1 0.87495729 0.39785350 0.09213362 1.0 O O46 1 0.28296905 0.30583314 0.90795224 1.0 O O47 1 0.40792293 0.80574425 0.78290873 1.0 O O48 1 0.39785350 0.09213362 0.87495729 1.0 O O49 1 0.30583314 0.90795224 0.28296905 1.0 O O50 1 0.71699129 0.52279823 0.62493991 1.0 O O51 1 0.89785004 0.02291212 0.30578399 1.0 O O52 1 0.62497197 0.40798379 0.10215174 1.0 O O53 1 0.90795224 0.28296905 0.30583314 1.0 O O54 1 0.02292278 0.21721916 0.12509574 1.0 O O55 1 0.87490426 0.97707722 0.78278084 1.0 O O56 1 0.19424537 0.47719209 0.60216440 1.0 O O57 1 0.80574425 0.78290873 0.40792293 1.0 O O58 1 0.62493991 0.71699129 0.52279823 1.0 O O59 1 0.39783560 0.80575463 0.52280791 1.0 O O60 1 0.09204776 0.71703095 0.69416686 1.0 O O61 1 0.71703095 0.69416686 0.09204776 1.0 O O62 1 0.80575463 0.52280791 0.39783560 1.0 O O63 1 0.97707722 0.78278084 0.87490426 1.0 O O64 1 0.10214996 0.97708788 0.69421601 1.0 O O65 1 0.78290873 0.40792293 0.80574425 1.0 O O66 1 0.52279823 0.62493991 0.71699129 1.0 O O67 1 0.47719209 0.60216440 0.19424537 1.0 O O68 1 0.60216440 0.19424537 0.47719209 1.0 O O69 1 0.37502803 0.59201621 0.89784826 1.0 O O70 1 0.19425575 0.21709127 0.59207707 1.0 O O71 1 0.59207707 0.19425575 0.21709127 1.0 O O72 1 0.78278084 0.87490426 0.97707722 1.0 O O73 1 0.12504271 0.60214650 0.90786638 1.0 O O74 1 0.69416686 0.09204776 0.71703095 1.0 O O75 1 0.60214650 0.90786638 0.12504271 1.0 O O76 1 0.90786638 0.12504271 0.60214650 1.0 O O77 1 0.30578399 0.89785004 0.02291212 1.0 O O78 1 0.09213362 0.87495729 0.39785350 1.0 O O79 1 0.97708788 0.69421601 0.10214996 1.0