# generated using pymatgen data_Na11Ti8(PO4)12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.88197600 _cell_length_b 9.08770384 _cell_length_c 12.59910295 _cell_angle_alpha 89.82029285 _cell_angle_beta 89.87846054 _cell_angle_gamma 89.74665506 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na11Ti8(PO4)12 _chemical_formula_sum 'Na11 Ti8 P12 O48' _cell_volume 1016.94166025 _cell_formula_units_Z 1 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 0.28565400 0.79577000 0.82980900 1.0 Na Na1 1 0.72489200 0.28737600 0.82708300 1.0 Na Na2 1 0.43474500 0.46892500 0.69120400 1.0 Na Na3 1 0.16744100 0.27603400 0.68550100 1.0 Na Na4 1 0.78621800 0.78640200 0.67477900 1.0 Na Na5 1 0.22645100 0.21121500 0.32966000 1.0 Na Na6 1 0.82900800 0.71683200 0.32449300 1.0 Na Na7 1 0.56362000 0.53585300 0.30870300 1.0 Na Na8 1 0.93821300 0.03347100 0.19123600 1.0 Na Na9 1 0.27586400 0.71620300 0.17083900 1.0 Na Na10 1 0.67243600 0.21516900 0.17324100 1.0 Ti Ti11 1 0.24054300 0.46533700 0.89666100 1.0 Ti Ti12 1 0.75060400 0.96127000 0.89346000 1.0 Ti Ti13 1 0.75967200 0.45853300 0.60487300 1.0 Ti Ti14 1 0.25602600 0.96436100 0.60741400 1.0 Ti Ti15 1 0.23971600 0.53987700 0.39576600 1.0 Ti Ti16 1 0.73999100 0.03547600 0.39935700 1.0 Ti Ti17 1 0.26130700 0.04151700 0.10082600 1.0 Ti Ti18 1 0.75906000 0.53694300 0.10142000 1.0 P P19 1 0.03031600 0.75415900 0.99966800 1.0 P P20 1 0.96823700 0.24996100 0.99913900 1.0 P P21 1 0.61020600 0.61016500 0.85403000 1.0 P P22 1 0.39399100 0.11412500 0.84923300 1.0 P P23 1 0.11028400 0.61041700 0.64856800 1.0 P P24 1 0.88738400 0.10288600 0.64745100 1.0 P P25 1 0.46616600 0.25139700 0.50092000 1.0 P P26 1 0.53140100 0.74939900 0.50166400 1.0 P P27 1 0.11581600 0.89603700 0.35585600 1.0 P P28 1 0.88894300 0.38600700 0.34938400 1.0 P P29 1 0.38675500 0.39560900 0.14512500 1.0 P P30 1 0.61292300 0.88606300 0.14863300 1.0 O O31 1 0.68006800 0.55259000 0.95816600 1.0 O O32 1 0.32782900 0.05737800 0.95661100 1.0 O O33 1 0.86562600 0.14606200 0.93594600 1.0 O O34 1 0.13631500 0.65405400 0.93350700 1.0 O O35 1 0.05883900 0.34456500 0.91969100 1.0 O O36 1 0.93125500 0.84172900 0.92132600 1.0 O O37 1 0.43613600 0.59232800 0.85591200 1.0 O O38 1 0.56659200 0.09521600 0.85416900 1.0 O O39 1 0.35317500 0.27972300 0.83030300 1.0 O O40 1 0.64798000 0.77433400 0.83407200 1.0 O O41 1 0.32367200 0.01850900 0.76122800 1.0 O O42 1 0.67164300 0.51135900 0.76196500 1.0 O O43 1 0.81687700 0.01439100 0.73959800 1.0 O O44 1 0.18573400 0.51289100 0.73595100 1.0 O O45 1 0.86483700 0.27210400 0.66485600 1.0 O O46 1 0.15194900 0.77335200 0.66572000 1.0 O O47 1 0.05874300 0.07128700 0.64189100 1.0 O O48 1 0.93806800 0.58967100 0.64945600 1.0 O O49 1 0.57074300 0.33648900 0.57624600 1.0 O O50 1 0.43990200 0.84760600 0.57880300 1.0 O O51 1 0.62953500 0.64332900 0.56960800 1.0 O O52 1 0.35394900 0.16175700 0.56942100 1.0 O O53 1 0.17464200 0.55082500 0.54166700 1.0 O O54 1 0.81322200 0.05214700 0.54359900 1.0 O O55 1 0.18989400 0.94941600 0.45784900 1.0 O O56 1 0.82325600 0.44258300 0.45641000 1.0 O O57 1 0.37219700 0.35912400 0.43133700 1.0 O O58 1 0.64144200 0.83980600 0.43089100 1.0 O O59 1 0.42825200 0.66206400 0.42630100 1.0 O O60 1 0.55708000 0.15341000 0.42192900 1.0 O O61 1 0.06174600 0.40554800 0.34906200 1.0 O O62 1 0.94245200 0.92352500 0.35916100 1.0 O O63 1 0.14028300 0.72841400 0.33541900 1.0 O O64 1 0.84764700 0.22244800 0.32870300 1.0 O O65 1 0.17733000 0.98849700 0.26049200 1.0 O O66 1 0.81309500 0.48550200 0.26334400 1.0 O O67 1 0.32297300 0.49066900 0.23824100 1.0 O O68 1 0.68905600 0.98381200 0.23490500 1.0 O O69 1 0.36130400 0.22863500 0.16520700 1.0 O O70 1 0.65082100 0.72154400 0.17163300 1.0 O O71 1 0.43975200 0.90742500 0.14851700 1.0 O O72 1 0.55883300 0.42323100 0.14288500 1.0 O O73 1 0.07274100 0.16349700 0.07572800 1.0 O O74 1 0.93642000 0.66181600 0.07945400 1.0 O O75 1 0.12993800 0.85849700 0.06619200 1.0 O O76 1 0.86104200 0.34433800 0.07028600 1.0 O O77 1 0.31423100 0.44860600 0.04136400 1.0 O O78 1 0.67849800 0.93961000 0.04139000 1.0