# generated using pymatgen data_Al2Si3(HO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.63381200 _cell_length_b 12.45007000 _cell_length_c 12.88425385 _cell_angle_alpha 89.57958050 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2Si3(HO4)3 _chemical_formula_sum 'Al8 Si12 H12 O48' _cell_volume 1064.10022281 _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 Al Al0 1 0.11787500 0.38134800 0.32444500 1.0 Al Al1 1 0.61787500 0.61865200 0.67555500 1.0 Al Al2 1 0.11153500 0.12504900 0.18223300 1.0 Al Al3 1 0.61153500 0.87495100 0.81776700 1.0 Al Al4 1 0.86118000 0.32640600 0.87957700 1.0 Al Al5 1 0.36118000 0.67359400 0.12042300 1.0 Al Al6 1 0.86302500 0.17166000 0.61908200 1.0 Al Al7 1 0.36302500 0.82834000 0.38091800 1.0 Si Si8 1 0.50145300 0.26618300 0.25585700 1.0 Si Si9 1 0.00145300 0.73381700 0.74414300 1.0 Si Si10 1 0.24557300 0.23795800 0.75340100 1.0 Si Si11 1 0.74557300 0.76204200 0.24659900 1.0 Si Si12 1 0.12149300 0.62259500 0.32300800 1.0 Si Si13 1 0.62149300 0.37740500 0.67699200 1.0 Si Si14 1 0.12213600 0.88508600 0.17545700 1.0 Si Si15 1 0.62213600 0.11491400 0.82454300 1.0 Si Si16 1 0.86724500 0.32252500 0.12153600 1.0 Si Si17 1 0.36724500 0.67747500 0.87846400 1.0 Si Si18 1 0.87108100 0.17207400 0.37967200 1.0 Si Si19 1 0.37108100 0.82792600 0.62032800 1.0 H H20 1 0.09773400 0.51062000 0.50732000 1.0 H H21 1 0.59773400 0.48938000 0.49268000 1.0 H H22 1 0.99827200 0.57407600 0.63103500 1.0 H H23 1 0.49827200 0.42592400 0.36896500 1.0 H H24 1 0.23444500 0.49200000 0.61134600 1.0 H H25 1 0.73444500 0.50800000 0.38865400 1.0 H H26 1 0.27281000 0.89910000 0.91549800 1.0 H H27 1 0.77281000 0.10090000 0.08450200 1.0 H H28 1 0.16427300 0.98603100 0.00551200 1.0 H H29 1 0.66427300 0.01396900 0.99448800 1.0 H H30 1 0.23870700 0.02813500 0.88344800 1.0 H H31 1 0.73870700 0.97186500 0.11655200 1.0 O O32 1 0.33405800 0.19390200 0.20122000 1.0 O O33 1 0.83405800 0.80609800 0.79878000 1.0 O O34 1 0.38928100 0.36183800 0.32653600 1.0 O O35 1 0.88928100 0.63816200 0.67346400 1.0 O O36 1 0.10718500 0.30110500 0.83596300 1.0 O O37 1 0.60718500 0.69889500 0.16403700 1.0 O O38 1 0.11111400 0.17962500 0.66538900 1.0 O O39 1 0.61111400 0.82037500 0.33461100 1.0 O O40 1 0.07635000 0.50798900 0.38429500 1.0 O O41 1 0.57635000 0.49201100 0.61570500 1.0 O O42 1 0.13520100 0.00148000 0.11236100 1.0 O O43 1 0.63520100 0.99852000 0.88763900 1.0 O O44 1 0.86654100 0.38151000 0.00624100 1.0 O O45 1 0.36654100 0.61849000 0.99375900 1.0 O O46 1 0.84861900 0.11172200 0.49432100 1.0 O O47 1 0.34861900 0.88827800 0.50567900 1.0 O O48 1 0.02621600 0.37939200 0.19770500 1.0 O O49 1 0.52621600 0.62060800 0.80229500 1.0 O O50 1 0.99080600 0.09486300 0.30043200 1.0 O O51 1 0.49080600 0.90513700 0.69956800 1.0 O O52 1 0.23021900 0.79544400 0.10556200 1.0 O O53 1 0.73021900 0.20455600 0.89443800 1.0 O O54 1 0.25216200 0.70129100 0.39594200 1.0 O O55 1 0.75216200 0.29870900 0.60405800 1.0 O O56 1 0.23355600 0.59691600 0.21411800 1.0 O O57 1 0.73355600 0.40308400 0.78588200 1.0 O O58 1 0.22170700 0.89862300 0.28875300 1.0 O O59 1 0.72170700 0.10137700 0.71124700 1.0 O O60 1 0.92600600 0.19457000 0.10622300 1.0 O O61 1 0.42600600 0.80543000 0.89377700 1.0 O O62 1 0.99441500 0.28295200 0.39845700 1.0 O O63 1 0.49441500 0.71704800 0.60154300 1.0 O O64 1 0.89874400 0.67693300 0.30253400 1.0 O O65 1 0.39874400 0.32306700 0.69746600 1.0 O O66 1 0.87581200 0.85699600 0.18378600 1.0 O O67 1 0.37581200 0.14300400 0.81621400 1.0 O O68 1 0.64303500 0.19674000 0.33543400 1.0 O O69 1 0.14303500 0.80326000 0.66456600 1.0 O O70 1 0.63788600 0.32963800 0.16927200 1.0 O O71 1 0.13788600 0.67036200 0.83072800 1.0 O O72 1 0.09790200 0.50606200 0.58652500 1.0 O O73 1 0.59790200 0.49393800 0.41347500 1.0 O O74 1 0.18136000 0.96648300 0.92390000 1.0 O O75 1 0.68136000 0.03351700 0.07610000 1.0 O O76 1 0.36648700 0.05263200 0.52201700 1.0 O O77 1 0.86648700 0.94736800 0.47798300 1.0 O O78 1 0.35590000 0.45047900 0.98876700 1.0 O O79 1 0.85590000 0.54952100 0.01123300 1.0