# generated using pymatgen data_AlP3C3NO9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.18516700 _cell_length_b 8.83635000 _cell_length_c 14.89038965 _cell_angle_alpha 59.35749098 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlP3C3NO9 _chemical_formula_sum 'Al4 P12 C12 N4 O36' _cell_volume 1039.79642488 _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 0.93144800 0.95871600 0.76984000 1.0 Al Al1 1 0.56855200 0.95871600 0.26984000 1.0 Al Al2 1 0.06855200 0.04128400 0.23016000 1.0 Al Al3 1 0.43144800 0.04128400 0.73016000 1.0 P P4 1 0.66880100 0.96894600 0.91559100 1.0 P P5 1 0.83119900 0.96894600 0.41559100 1.0 P P6 1 0.33119900 0.03105400 0.08440900 1.0 P P7 1 0.16880100 0.03105400 0.58440900 1.0 P P8 1 0.20828100 0.72881600 0.90765100 1.0 P P9 1 0.29171900 0.72881600 0.40765100 1.0 P P10 1 0.79171900 0.27118400 0.09234900 1.0 P P11 1 0.70828100 0.27118400 0.59234900 1.0 P P12 1 0.66444100 0.73108500 0.75373900 1.0 P P13 1 0.83555900 0.73108500 0.25373900 1.0 P P14 1 0.33555900 0.26891500 0.24626100 1.0 P P15 1 0.16444100 0.26891500 0.74626100 1.0 C C16 1 0.70737300 0.15990300 0.92899700 1.0 C C17 1 0.79262700 0.15990300 0.42899700 1.0 C C18 1 0.29262700 0.84009700 0.07100300 1.0 C C19 1 0.20737300 0.84009700 0.57100300 1.0 C C20 1 0.74591400 0.23461700 0.98455000 1.0 C C21 1 0.75408600 0.23461700 0.48455000 1.0 C C22 1 0.25408600 0.76538300 0.01545000 1.0 C C23 1 0.24591400 0.76538300 0.51545000 1.0 C C24 1 0.65094100 0.50486400 0.81767300 1.0 C C25 1 0.84905900 0.50486400 0.31767300 1.0 C C26 1 0.34905900 0.49513600 0.18232700 1.0 C C27 1 0.15094100 0.49513600 0.68232700 1.0 N N28 1 0.68717600 0.34737700 0.88319800 1.0 N N29 1 0.81282400 0.34737700 0.38319800 1.0 N N30 1 0.31282400 0.65262300 0.11680200 1.0 N N31 1 0.18717600 0.65262300 0.61680200 1.0 O O32 1 0.62544500 0.83557300 0.02535400 1.0 O O33 1 0.87455500 0.83557300 0.52535400 1.0 O O34 1 0.37455500 0.16442700 0.97464600 1.0 O O35 1 0.12544500 0.16442700 0.47464600 1.0 O O36 1 0.81142900 0.93259700 0.87817000 1.0 O O37 1 0.68857100 0.93259700 0.37817000 1.0 O O38 1 0.18857100 0.06740300 0.12183000 1.0 O O39 1 0.31142900 0.06740300 0.62183000 1.0 O O40 1 0.55038300 0.03084100 0.83353300 1.0 O O41 1 0.94961700 0.03084100 0.33353300 1.0 O O42 1 0.44961700 0.96915900 0.16646700 1.0 O O43 1 0.05038300 0.96915900 0.66646700 1.0 O O44 1 0.05207300 0.78760400 0.87402500 1.0 O O45 1 0.44792700 0.78760400 0.37402500 1.0 O O46 1 0.94792700 0.21239600 0.12597500 1.0 O O47 1 0.55207300 0.21239600 0.62597500 1.0 O O48 1 0.23808700 0.53666500 0.95487400 1.0 O O49 1 0.26191300 0.53666500 0.45487400 1.0 O O50 1 0.76191300 0.46333500 0.04512600 1.0 O O51 1 0.73808700 0.46333500 0.54512600 1.0 O O52 1 0.31710400 0.85415300 0.82686100 1.0 O O53 1 0.18289600 0.85415300 0.32686100 1.0 O O54 1 0.68289600 0.14584700 0.17313900 1.0 O O55 1 0.81710400 0.14584700 0.67313900 1.0 O O56 1 0.53916000 0.85328100 0.72545400 1.0 O O57 1 0.96084000 0.85328100 0.22545400 1.0 O O58 1 0.46084000 0.14671900 0.27454600 1.0 O O59 1 0.03916000 0.14671900 0.77454600 1.0 O O60 1 0.63150000 0.58864900 0.70993500 1.0 O O61 1 0.86850000 0.58864900 0.20993500 1.0 O O62 1 0.36850000 0.41135100 0.29006500 1.0 O O63 1 0.13150000 0.41135100 0.79006500 1.0 O O64 1 0.81682700 0.79231200 0.75025100 1.0 O O65 1 0.68317300 0.79231200 0.25025100 1.0 O O66 1 0.18317300 0.20768800 0.24974900 1.0 O O67 1 0.31682700 0.20768800 0.74974900 1.0