# generated using pymatgen data_MgSiO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43706900 _cell_length_b 8.28487300 _cell_length_c 19.58167500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgSiO3 _chemical_formula_sum 'Mg16 Si16 O48' _cell_volume 882.06489525 _cell_formula_units_Z 16 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 0.93983000 0.56122100 0.88296500 1.0 Mg Mg1 1 0.93938600 0.06584900 0.86896400 1.0 Mg Mg2 1 0.56061400 0.56584900 0.13103600 1.0 Mg Mg3 1 0.06061400 0.43415100 0.36896400 1.0 Mg Mg4 1 0.43938600 0.43415100 0.86896400 1.0 Mg Mg5 1 0.56017000 0.06122100 0.11703500 1.0 Mg Mg6 1 0.93938600 0.56584900 0.63103600 1.0 Mg Mg7 1 0.93983000 0.06122100 0.61703500 1.0 Mg Mg8 1 0.56061400 0.06584900 0.36896400 1.0 Mg Mg9 1 0.43983000 0.93877900 0.88296500 1.0 Mg Mg10 1 0.56017000 0.56122100 0.38296500 1.0 Mg Mg11 1 0.06017000 0.93877900 0.38296500 1.0 Mg Mg12 1 0.06061400 0.93415100 0.13103600 1.0 Mg Mg13 1 0.06017000 0.43877900 0.11703500 1.0 Mg Mg14 1 0.43983000 0.43877900 0.61703500 1.0 Mg Mg15 1 0.43938600 0.93415100 0.63103600 1.0 Si Si16 1 0.27547300 0.14860000 0.25793000 1.0 Si Si17 1 0.22452700 0.14860000 0.75793000 1.0 Si Si18 1 0.25076300 0.65013700 0.49139400 1.0 Si Si19 1 0.24923700 0.15013700 0.50860600 1.0 Si Si20 1 0.77547300 0.35140000 0.25793000 1.0 Si Si21 1 0.72452700 0.85140000 0.74207000 1.0 Si Si22 1 0.74923700 0.84986300 0.99139400 1.0 Si Si23 1 0.74923700 0.34986300 0.50860600 1.0 Si Si24 1 0.75076300 0.84986300 0.49139400 1.0 Si Si25 1 0.24923700 0.65013700 0.99139400 1.0 Si Si26 1 0.75076300 0.34986300 0.00860600 1.0 Si Si27 1 0.27547300 0.64860000 0.24207000 1.0 Si Si28 1 0.77547300 0.85140000 0.24207000 1.0 Si Si29 1 0.25076300 0.15013700 0.00860600 1.0 Si Si30 1 0.22452700 0.64860000 0.74207000 1.0 Si Si31 1 0.72452700 0.35140000 0.75793000 1.0 O O32 1 0.26383900 0.62436800 0.07247100 1.0 O O33 1 0.23616100 0.62436800 0.57247100 1.0 O O34 1 0.00373000 0.75146400 0.46044300 1.0 O O35 1 0.71601700 0.51117600 0.80587500 1.0 O O36 1 0.73616100 0.87563200 0.57247100 1.0 O O37 1 0.27389100 0.61609400 0.32304200 1.0 O O38 1 0.27389100 0.11609400 0.17695800 1.0 O O39 1 0.21601700 0.48882400 0.69412500 1.0 O O40 1 0.46253400 0.76058500 0.71333600 1.0 O O41 1 0.22610900 0.61609400 0.82304200 1.0 O O42 1 0.77389100 0.88390600 0.32304200 1.0 O O43 1 0.23616100 0.12436800 0.92752900 1.0 O O44 1 0.22610900 0.11609400 0.67695800 1.0 O O45 1 0.53746600 0.23941500 0.28666400 1.0 O O46 1 0.72675400 0.51365500 0.55299600 1.0 O O47 1 0.26383900 0.12436800 0.42752900 1.0 O O48 1 0.49627000 0.75146400 0.96044300 1.0 O O49 1 0.50373000 0.24853600 0.03955700 1.0 O O50 1 0.03746600 0.26058500 0.28666400 1.0 O O51 1 0.53746600 0.73941500 0.21333600 1.0 O O52 1 0.96253400 0.73941500 0.71333600 1.0 O O53 1 0.03746600 0.76058500 0.21333600 1.0 O O54 1 0.99627000 0.24853600 0.53955700 1.0 O O55 1 0.77324600 0.51365500 0.05299600 1.0 O O56 1 0.46253400 0.26058500 0.78666400 1.0 O O57 1 0.76383900 0.37563200 0.42752900 1.0 O O58 1 0.00373000 0.25146400 0.03955700 1.0 O O59 1 0.28398300 0.98882400 0.30587500 1.0 O O60 1 0.78398300 0.01117600 0.19412500 1.0 O O61 1 0.50373000 0.74853600 0.46044300 1.0 O O62 1 0.72610900 0.88390600 0.82304200 1.0 O O63 1 0.22675400 0.98634500 0.55299600 1.0 O O64 1 0.27324600 0.48634500 0.44700400 1.0 O O65 1 0.73616100 0.37563200 0.92752900 1.0 O O66 1 0.22675400 0.48634500 0.94700400 1.0 O O67 1 0.27324600 0.98634500 0.05299600 1.0 O O68 1 0.78398300 0.51117600 0.30587500 1.0 O O69 1 0.99627000 0.74853600 0.96044300 1.0 O O70 1 0.76383900 0.87563200 0.07247100 1.0 O O71 1 0.21601700 0.98882400 0.80587500 1.0 O O72 1 0.49627000 0.25146400 0.53955700 1.0 O O73 1 0.77324600 0.01365500 0.44700400 1.0 O O74 1 0.28398300 0.48882400 0.19412500 1.0 O O75 1 0.72610900 0.38390600 0.67695800 1.0 O O76 1 0.71601700 0.01117600 0.69412500 1.0 O O77 1 0.72675400 0.01365500 0.94700400 1.0 O O78 1 0.96253400 0.23941500 0.78666400 1.0 O O79 1 0.77389100 0.38390600 0.17695800 1.0