# generated using pymatgen data_Sn3P3O13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.62241400 _cell_length_b 7.75046300 _cell_length_c 11.05316271 _cell_angle_alpha 82.93365636 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sn3P3O13 _chemical_formula_sum 'Sn6 P6 O26' _cell_volume 563.01401608 _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 Sn Sn0 1 0.25000000 0.63737900 0.20248100 1.0 Sn Sn1 1 0.75000000 0.36262100 0.79751900 1.0 Sn Sn2 1 0.25000000 0.21812600 0.45071100 1.0 Sn Sn3 1 0.50000000 0.00000000 0.00000000 1.0 Sn Sn4 1 0.75000000 0.78187400 0.54928900 1.0 Sn Sn5 1 0.00000000 0.00000000 0.00000000 1.0 P P6 1 0.25000000 0.78138900 0.47946400 1.0 P P7 1 0.75000000 0.21861100 0.52053600 1.0 P P8 1 0.25000000 0.25131200 0.77188000 1.0 P P9 1 0.75000000 0.74868800 0.22812000 1.0 P P10 1 0.75000000 0.69153600 0.88067000 1.0 P P11 1 0.25000000 0.30846400 0.11933000 1.0 O O12 1 0.75000000 0.65170500 0.74276200 1.0 O O13 1 0.56610000 0.24943800 0.43449400 1.0 O O14 1 0.25000000 0.17722100 0.65124900 1.0 O O15 1 0.55534000 0.79001700 0.90763500 1.0 O O16 1 0.75000000 0.35630000 0.61349600 1.0 O O17 1 0.75000000 0.12534400 0.90874500 1.0 O O18 1 0.25000000 0.64370000 0.38650400 1.0 O O19 1 0.05534000 0.20998300 0.09236500 1.0 O O20 1 0.25000000 0.96424400 0.40326700 1.0 O O21 1 0.75000000 0.03575600 0.59673300 1.0 O O22 1 0.06235100 0.35702100 0.79725100 1.0 O O23 1 0.25000000 0.87465600 0.09125500 1.0 O O24 1 0.56235100 0.64297900 0.20274900 1.0 O O25 1 0.75000000 0.50189800 0.94629100 1.0 O O26 1 0.75000000 0.82277900 0.34875100 1.0 O O27 1 0.44466000 0.20998300 0.09236500 1.0 O O28 1 0.93390000 0.24943800 0.43449400 1.0 O O29 1 0.43390000 0.75056200 0.56550600 1.0 O O30 1 0.43764900 0.35702100 0.79725100 1.0 O O31 1 0.25000000 0.34829500 0.25723800 1.0 O O32 1 0.75000000 0.91618200 0.12149800 1.0 O O33 1 0.25000000 0.08381800 0.87850200 1.0 O O34 1 0.93764900 0.64297900 0.20274900 1.0 O O35 1 0.94466000 0.79001700 0.90763500 1.0 O O36 1 0.06610000 0.75056200 0.56550600 1.0 O O37 1 0.25000000 0.49810200 0.05370900 1.0