# generated using pymatgen data_Mg3Al2(SiO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.02097913 _cell_length_b 10.02097913 _cell_length_c 10.02097913 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg3Al2(SiO4)3 _chemical_formula_sum 'Mg12 Al8 Si12 O48' _cell_volume 774.65545350 _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 0.37500000 0.12500000 0.25000000 1.0 Mg Mg1 1 0.75000000 0.12500000 0.37500000 1.0 Mg Mg2 1 0.25000000 0.37500000 0.12500000 1.0 Mg Mg3 1 0.12500000 0.25000000 0.37500000 1.0 Mg Mg4 1 0.37500000 0.75000000 0.12500000 1.0 Mg Mg5 1 0.12500000 0.37500000 0.75000000 1.0 Mg Mg6 1 0.62500000 0.87500000 0.75000000 1.0 Mg Mg7 1 0.25000000 0.87500000 0.62500000 1.0 Mg Mg8 1 0.75000000 0.62500000 0.87500000 1.0 Mg Mg9 1 0.87500000 0.75000000 0.62500000 1.0 Mg Mg10 1 0.62500000 0.25000000 0.87500000 1.0 Mg Mg11 1 0.87500000 0.62500000 0.25000000 1.0 Al Al12 1 0.00000000 0.00000000 0.00000000 1.0 Al Al13 1 0.50000000 0.00000000 0.00000000 1.0 Al Al14 1 0.00000000 0.50000000 0.00000000 1.0 Al Al15 1 0.00000000 0.00000000 0.50000000 1.0 Al Al16 1 0.50000000 0.50000000 0.00000000 1.0 Al Al17 1 0.00000000 0.50000000 0.50000000 1.0 Al Al18 1 0.50000000 0.00000000 0.50000000 1.0 Al Al19 1 0.50000000 0.50000000 0.50000000 1.0 Si Si20 1 0.62500000 0.37500000 0.25000000 1.0 Si Si21 1 0.75000000 0.37500000 0.62500000 1.0 Si Si22 1 0.25000000 0.12500000 0.87500000 1.0 Si Si23 1 0.87500000 0.25000000 0.12500000 1.0 Si Si24 1 0.62500000 0.75000000 0.37500000 1.0 Si Si25 1 0.37500000 0.62500000 0.75000000 1.0 Si Si26 1 0.12500000 0.75000000 0.87500000 1.0 Si Si27 1 0.75000000 0.87500000 0.12500000 1.0 Si Si28 1 0.37500000 0.25000000 0.62500000 1.0 Si Si29 1 0.25000000 0.62500000 0.37500000 1.0 Si Si30 1 0.87500000 0.12500000 0.75000000 1.0 Si Si31 1 0.12500000 0.87500000 0.25000000 1.0 O O32 1 0.68595300 0.08281300 0.70350100 1.0 O O33 1 0.10314100 0.98245200 0.68595300 1.0 O O34 1 0.70350100 0.51754800 0.62068900 1.0 O O35 1 0.62068900 0.70350100 0.51754800 1.0 O O36 1 0.87931100 0.39685900 0.08281300 1.0 O O37 1 0.08281300 0.87931100 0.39685900 1.0 O O38 1 0.98245200 0.68595300 0.10314100 1.0 O O39 1 0.41718700 0.10314100 0.62068900 1.0 O O40 1 0.39685900 0.81404700 0.51754800 1.0 O O41 1 0.98245200 0.79649900 0.87931100 1.0 O O42 1 0.10314100 0.62068900 0.41718700 1.0 O O43 1 0.51754800 0.39685900 0.81404700 1.0 O O44 1 0.79649900 0.87931100 0.98245200 1.0 O O45 1 0.70350100 0.68595300 0.08281300 1.0 O O46 1 0.08281300 0.70350100 0.68595300 1.0 O O47 1 0.62068900 0.41718700 0.10314100 1.0 O O48 1 0.79649900 0.41718700 0.81404700 1.0 O O49 1 0.81404700 0.51754800 0.39685900 1.0 O O50 1 0.81404700 0.79649900 0.41718700 1.0 O O51 1 0.87931100 0.98245200 0.79649900 1.0 O O52 1 0.41718700 0.81404700 0.79649900 1.0 O O53 1 0.39685900 0.08281300 0.87931100 1.0 O O54 1 0.68595300 0.10314100 0.98245200 1.0 O O55 1 0.51754800 0.62068900 0.70350100 1.0 O O56 1 0.31404700 0.91718700 0.29649900 1.0 O O57 1 0.89685900 0.01754800 0.31404700 1.0 O O58 1 0.29649900 0.48245200 0.37931100 1.0 O O59 1 0.37931100 0.29649900 0.48245200 1.0 O O60 1 0.12068900 0.60314100 0.91718700 1.0 O O61 1 0.91718700 0.12068900 0.60314100 1.0 O O62 1 0.01754800 0.31404700 0.89685900 1.0 O O63 1 0.58281300 0.89685900 0.37931100 1.0 O O64 1 0.60314100 0.18595300 0.48245200 1.0 O O65 1 0.01754800 0.20350100 0.12068900 1.0 O O66 1 0.89685900 0.37931100 0.58281300 1.0 O O67 1 0.48245200 0.60314100 0.18595300 1.0 O O68 1 0.20350100 0.12068900 0.01754800 1.0 O O69 1 0.29649900 0.31404700 0.91718700 1.0 O O70 1 0.91718700 0.29649900 0.31404700 1.0 O O71 1 0.37931100 0.58281300 0.89685900 1.0 O O72 1 0.20350100 0.58281300 0.18595300 1.0 O O73 1 0.18595300 0.48245200 0.60314100 1.0 O O74 1 0.18595300 0.20350100 0.58281300 1.0 O O75 1 0.12068900 0.01754800 0.20350100 1.0 O O76 1 0.58281300 0.18595300 0.20350100 1.0 O O77 1 0.60314100 0.91718700 0.12068900 1.0 O O78 1 0.31404700 0.89685900 0.01754800 1.0 O O79 1 0.48245200 0.37931100 0.29649900 1.0