# generated using pymatgen data_Na5SiP3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.27467798 _cell_length_b 7.87677910 _cell_length_c 15.16653843 _cell_angle_alpha 59.26283323 _cell_angle_beta 90.00016692 _cell_angle_gamma 90.00004097 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na5SiP3 _chemical_formula_sum 'Na20 Si4 P12' _cell_volume 746.97377728 _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 Na Na0 1 0.50726635 0.55491487 0.25699261 1.0 Na Na1 1 0.00726603 0.44508372 0.24300718 1.0 Na Na2 1 0.49273388 0.44508408 0.74300775 1.0 Na Na3 1 0.99273438 0.55491655 0.75699322 1.0 Na Na4 1 0.98424637 0.91292327 0.41197054 1.0 Na Na5 1 0.48424812 0.08707535 0.08803024 1.0 Na Na6 1 0.01575348 0.08707613 0.58802982 1.0 Na Na7 1 0.51575251 0.91292454 0.91196997 1.0 Na Na8 1 0.52880232 0.25751247 0.58138399 1.0 Na Na9 1 0.02880288 0.74248780 0.91861629 1.0 Na Na10 1 0.47119794 0.74248730 0.41861641 1.0 Na Na11 1 0.97119747 0.25751238 0.08138364 1.0 Na Na12 1 0.15368036 0.83759301 0.24152846 1.0 Na Na13 1 0.65368075 0.16240748 0.25847164 1.0 Na Na14 1 0.84631963 0.16240712 0.75847162 1.0 Na Na15 1 0.34631956 0.83759231 0.74152846 1.0 Na Na16 1 0.33669062 0.15932096 0.41874291 1.0 Na Na17 1 0.83669127 0.84067900 0.08125643 1.0 Na Na18 1 0.66330941 0.84067928 0.58125729 1.0 Na Na19 1 0.16330918 0.15932197 0.91874335 1.0 Si Si20 1 0.63920708 0.51135943 0.91627844 1.0 Si Si21 1 0.13920668 0.48863965 0.58372277 1.0 Si Si22 1 0.36079225 0.48863885 0.08372224 1.0 Si Si23 1 0.86079297 0.51136146 0.41627692 1.0 P P24 1 0.74132701 0.24084823 0.42050168 1.0 P P25 1 0.24132537 0.75915203 0.07949892 1.0 P P26 1 0.25867460 0.75915094 0.57949938 1.0 P P27 1 0.75867463 0.24084795 0.92050091 1.0 P P28 1 0.76980216 0.79799818 0.27847533 1.0 P P29 1 0.26980226 0.20200241 0.22152409 1.0 P P30 1 0.23019566 0.20200622 0.72152303 1.0 P P31 1 0.73019781 0.79799759 0.77847615 1.0 P P32 1 0.32005204 0.48130164 0.93463357 1.0 P P33 1 0.82005239 0.51869846 0.56536600 1.0 P P34 1 0.67994805 0.51869768 0.06536665 1.0 P P35 1 0.17994753 0.48130169 0.43463407 1.0