# generated using pymatgen data_Al2Si2H5C2NO10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21351366 _cell_length_b 5.21351366 _cell_length_c 21.55810238 _cell_angle_alpha 88.99281457 _cell_angle_beta 88.99281457 _cell_angle_gamma 119.93105163 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2Si2H5C2NO10 _chemical_formula_sum 'Al4 Si4 H10 C4 N2 O20' _cell_volume 507.49939173 _cell_formula_units_Z 2 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 0.94027400 0.74728600 0.65848500 1.0 Al Al1 1 0.74728600 0.94027400 0.15848500 1.0 Al Al2 1 0.61323400 0.09656900 0.65784300 1.0 Al Al3 1 0.09656900 0.61323400 0.15784300 1.0 Si Si4 1 0.27152300 0.78095200 0.53115400 1.0 Si Si5 1 0.78095200 0.27152300 0.03115400 1.0 Si Si6 1 0.93092600 0.10067000 0.53095200 1.0 Si Si7 1 0.10067000 0.93092600 0.03095200 1.0 H H8 1 0.28119900 0.17061800 0.73037200 1.0 H H9 1 0.17061800 0.28119900 0.23037200 1.0 H H10 1 0.01070500 0.40150000 0.73696800 1.0 H H11 1 0.40150000 0.01070500 0.23696800 1.0 H H12 1 0.57561400 0.71991800 0.74253200 1.0 H H13 1 0.71991800 0.57561400 0.24253200 1.0 H H14 1 0.06703000 0.36615800 0.89762300 1.0 H H15 1 0.36615800 0.06703000 0.39762300 1.0 H H16 1 0.61630400 0.60515600 0.92918100 1.0 H H17 1 0.60515600 0.61630400 0.42918100 1.0 C C18 1 0.25636800 0.45227400 0.86380600 1.0 C C19 1 0.45227400 0.25636800 0.36380600 1.0 C C20 1 0.65835400 0.93677900 0.86967000 1.0 C C21 1 0.93677900 0.65835400 0.36967000 1.0 N N22 1 0.54387200 0.66922900 0.89048900 1.0 N N23 1 0.66922900 0.54387200 0.39048900 1.0 O O24 1 0.24376200 0.40006500 0.80926500 1.0 O O25 1 0.40006500 0.24376200 0.30926500 1.0 O O26 1 0.08078300 0.91956700 0.49938500 1.0 O O27 1 0.91956700 0.08078300 0.99938500 1.0 O O28 1 0.13874900 0.44433100 0.50611200 1.0 O O29 1 0.44433100 0.13874900 0.00611200 1.0 O O30 1 0.60627100 0.96742000 0.49803300 1.0 O O31 1 0.96742000 0.60627100 0.99803300 1.0 O O32 1 0.27882600 0.81073500 0.60574000 1.0 O O33 1 0.81073500 0.27882600 0.10574000 1.0 O O34 1 0.89507900 0.05122600 0.60562800 1.0 O O35 1 0.05122600 0.89507900 0.10562800 1.0 O O36 1 0.68348600 0.43266900 0.60805500 1.0 O O37 1 0.43266900 0.68348600 0.10805500 1.0 O O38 1 0.27170200 0.02272400 0.70258300 1.0 O O39 1 0.02272400 0.27170200 0.20258300 1.0 O O40 1 0.88179200 0.41241300 0.70641400 1.0 O O41 1 0.41241300 0.88179200 0.20641400 1.0 O O42 1 0.65987300 0.80401300 0.70170900 1.0 O O43 1 0.80401300 0.65987300 0.20170900 1.0