# generated using pymatgen data_NaTi3P3O13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.40972000 _cell_length_b 7.70377600 _cell_length_c 10.44403089 _cell_angle_alpha 80.64173793 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTi3P3O13 _chemical_formula_sum 'Na2 Ti6 P6 O26' _cell_volume 508.85256176 _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 Na Na0 1 0.75000000 0.34522100 0.18457400 1.0 Na Na1 1 0.25000000 0.65477900 0.81542600 1.0 Ti Ti2 1 0.25000000 0.64303000 0.19548600 1.0 Ti Ti3 1 0.75000000 0.35697000 0.80451400 1.0 Ti Ti4 1 0.25000000 0.20850400 0.43928300 1.0 Ti Ti5 1 0.50000000 0.00000000 0.00000000 1.0 Ti Ti6 1 0.75000000 0.79149600 0.56071700 1.0 Ti Ti7 1 0.00000000 0.00000000 0.00000000 1.0 P P8 1 0.25000000 0.77829200 0.48638900 1.0 P P9 1 0.75000000 0.22170800 0.51361100 1.0 P P10 1 0.25000000 0.26064200 0.76322700 1.0 P P11 1 0.75000000 0.73935800 0.23677300 1.0 P P12 1 0.75000000 0.68860300 0.88298300 1.0 P P13 1 0.25000000 0.31139700 0.11701700 1.0 O O14 1 0.75000000 0.65048800 0.73941900 1.0 O O15 1 0.55655400 0.25335100 0.42518200 1.0 O O16 1 0.25000000 0.21206500 0.62596400 1.0 O O17 1 0.55145500 0.79157600 0.90745200 1.0 O O18 1 0.75000000 0.34024000 0.61728000 1.0 O O19 1 0.75000000 0.13555300 0.90153300 1.0 O O20 1 0.25000000 0.65976000 0.38272000 1.0 O O21 1 0.05145500 0.20842400 0.09254800 1.0 O O22 1 0.25000000 0.97629400 0.41638500 1.0 O O23 1 0.75000000 0.02370600 0.58361500 1.0 O O24 1 0.05857600 0.37138600 0.78754600 1.0 O O25 1 0.25000000 0.86444700 0.09846700 1.0 O O26 1 0.55857600 0.62861400 0.21245400 1.0 O O27 1 0.75000000 0.49660700 0.95638400 1.0 O O28 1 0.75000000 0.78793500 0.37403600 1.0 O O29 1 0.44854500 0.20842400 0.09254800 1.0 O O30 1 0.94344600 0.25335100 0.42518200 1.0 O O31 1 0.44344600 0.74664900 0.57481800 1.0 O O32 1 0.44142400 0.37138600 0.78754600 1.0 O O33 1 0.25000000 0.34951200 0.26058100 1.0 O O34 1 0.75000000 0.91363800 0.13372500 1.0 O O35 1 0.25000000 0.08636200 0.86627500 1.0 O O36 1 0.94142400 0.62861400 0.21245400 1.0 O O37 1 0.94854500 0.79157600 0.90745200 1.0 O O38 1 0.05655400 0.74664900 0.57481800 1.0 O O39 1 0.25000000 0.50339300 0.04361600 1.0