# generated using pymatgen data_Sr3Al3N5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.73061933 _cell_length_b 7.25154481 _cell_length_c 8.57413587 _cell_angle_alpha 108.89171291 _cell_angle_beta 102.68692379 _cell_angle_gamma 96.01320108 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr3Al3N5 _chemical_formula_sum 'Sr6 Al6 N10' _cell_volume 322.85655494 _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 Sr Sr0 1 0.81169309 0.42259380 0.60815014 1.0 Sr Sr1 1 0.18830691 0.57740620 0.39184986 1.0 Sr Sr2 1 0.66953549 0.85835372 0.87848412 1.0 Sr Sr3 1 0.33046451 0.14164628 0.12151588 1.0 Sr Sr4 1 0.66336094 0.65551233 0.20832525 1.0 Sr Sr5 1 0.33663906 0.34448767 0.79167475 1.0 Al Al6 1 0.91065613 0.31796326 0.97356114 1.0 Al Al7 1 0.08934387 0.68203674 0.02643886 1.0 Al Al8 1 0.70074200 0.96191692 0.57578680 1.0 Al Al9 1 0.29925800 0.03808308 0.42421320 1.0 Al Al10 1 0.11100373 0.88605053 0.70886206 1.0 Al Al11 1 0.88899627 0.11394947 0.29113794 1.0 N N12 1 0.94823778 0.10857300 0.78152410 1.0 N N13 1 0.05176222 0.89142700 0.21847590 1.0 N N14 1 0.82594110 0.72588340 0.53196046 1.0 N N15 1 0.17405890 0.27411660 0.46803954 1.0 N N16 1 0.77109891 0.51971235 0.91145035 1.0 N N17 1 0.22890109 0.48028765 0.08854965 1.0 N N18 1 0.37663798 0.94846375 0.61312747 1.0 N N19 1 0.62336202 0.05153625 0.38687253 1.0 N N20 1 0.21771422 0.78022341 0.87857359 1.0 N N21 1 0.78228578 0.21977659 0.12142641 1.0