# generated using pymatgen data_Al(SiO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.12941741 _cell_length_b 12.12941741 _cell_length_c 12.12941741 _cell_angle_alpha 108.90871087 _cell_angle_beta 108.90871087 _cell_angle_gamma 110.60219435 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al(SiO3)2 _chemical_formula_sum 'Al8 Si16 O48' _cell_volume 1373.31674704 _cell_formula_units_Z 8 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 Al Al0 1 0.58072500 0.91927500 0.00000000 1.0 Al Al1 1 0.41927500 0.41927500 0.33854900 1.0 Al Al2 1 0.66927500 0.83072500 0.50000000 1.0 Al Al3 1 0.83072500 0.33072500 0.16145100 1.0 Al Al4 1 0.08072500 0.08072500 0.66145100 1.0 Al Al5 1 0.91927500 0.58072500 0.00000000 1.0 Al Al6 1 0.16927500 0.66927500 0.83854900 1.0 Al Al7 1 0.33072500 0.16927500 0.50000000 1.0 Si Si8 1 0.40868700 0.62359700 0.96853700 1.0 Si Si9 1 0.15506000 0.12359700 0.21491100 1.0 Si Si10 1 0.37359700 0.65868700 0.46853700 1.0 Si Si11 1 0.69014900 0.15868700 0.28508900 1.0 Si Si12 1 0.84131300 0.12640300 0.53146300 1.0 Si Si13 1 0.09494000 0.62640300 0.28508900 1.0 Si Si14 1 0.87640300 0.09131300 0.03146300 1.0 Si Si15 1 0.55985000 0.59131300 0.21491100 1.0 Si Si16 1 0.90868700 0.94014900 0.78508900 1.0 Si Si17 1 0.65506000 0.44015000 0.03146300 1.0 Si Si18 1 0.87359700 0.40506000 0.71491100 1.0 Si Si19 1 0.19014900 0.90506000 0.53146300 1.0 Si Si20 1 0.34131300 0.80985100 0.71491100 1.0 Si Si21 1 0.59494000 0.30985100 0.46853700 1.0 Si Si22 1 0.37640300 0.34494000 0.78508900 1.0 Si Si23 1 0.05985100 0.84494000 0.96853700 1.0 O O24 1 0.51606100 0.75405900 0.97363400 1.0 O O25 1 0.28042400 0.25405900 0.23799800 1.0 O O26 1 0.50405900 0.76606100 0.47363400 1.0 O O27 1 0.79242600 0.26606100 0.26200200 1.0 O O28 1 0.73393900 0.99594100 0.52636600 1.0 O O29 1 0.96957600 0.49594100 0.26200200 1.0 O O30 1 0.74594100 0.98393900 0.02636600 1.0 O O31 1 0.45757300 0.48393900 0.23799800 1.0 O O32 1 0.01606100 0.04242600 0.76200200 1.0 O O33 1 0.78042400 0.54242600 0.02636600 1.0 O O34 1 0.00405900 0.53042400 0.73799800 1.0 O O35 1 0.29242600 0.03042400 0.52636600 1.0 O O36 1 0.23393900 0.70757400 0.73799800 1.0 O O37 1 0.46957600 0.20757400 0.47363400 1.0 O O38 1 0.24594100 0.21957600 0.76200200 1.0 O O39 1 0.95757300 0.71957600 0.97363400 1.0 O O40 1 0.27215500 0.63075600 0.94030700 1.0 O O41 1 0.19044900 0.13075600 0.35860100 1.0 O O42 1 0.38075600 0.52215500 0.44030700 1.0 O O43 1 0.58184700 0.02215500 0.14139900 1.0 O O44 1 0.97784500 0.11924400 0.55969300 1.0 O O45 1 0.05955100 0.61924400 0.14139900 1.0 O O46 1 0.86924400 0.22784500 0.05969300 1.0 O O47 1 0.66815300 0.72784500 0.35860100 1.0 O O48 1 0.77215500 0.83184700 0.64139900 1.0 O O49 1 0.69044900 0.33184700 0.05969300 1.0 O O50 1 0.88075600 0.44044900 0.85860100 1.0 O O51 1 0.08184700 0.94044900 0.55969300 1.0 O O52 1 0.47784500 0.91815300 0.85860100 1.0 O O53 1 0.55955100 0.41815300 0.44030700 1.0 O O54 1 0.36924400 0.30955100 0.64139900 1.0 O O55 1 0.16815300 0.80955100 0.94030700 1.0 O O56 1 0.47487400 0.62691500 0.11091900 1.0 O O57 1 0.01599600 0.12691500 0.15204200 1.0 O O58 1 0.37691500 0.72487400 0.61091900 1.0 O O59 1 0.61395400 0.22487400 0.34795800 1.0 O O60 1 0.77512600 0.12308500 0.38908100 1.0 O O61 1 0.23400400 0.62308500 0.34795800 1.0 O O62 1 0.87308500 0.02512600 0.88908100 1.0 O O63 1 0.63604600 0.52512600 0.15204200 1.0 O O64 1 0.97487400 0.86395400 0.84795800 1.0 O O65 1 0.51599600 0.36395400 0.88908100 1.0 O O66 1 0.87691500 0.26599600 0.65204200 1.0 O O67 1 0.11395400 0.76599600 0.38908100 1.0 O O68 1 0.27512600 0.88604600 0.65204200 1.0 O O69 1 0.73400400 0.38604600 0.61091900 1.0 O O70 1 0.37308500 0.48400400 0.84795800 1.0 O O71 1 0.13604600 0.98400400 0.11091900 1.0