# generated using pymatgen data_Sn3PO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.19031300 _cell_length_b 5.04042800 _cell_length_c 12.63173577 _cell_angle_alpha 69.47389707 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sn3PO6 _chemical_formula_sum 'Sn12 P4 O24' _cell_volume 667.24646403 _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 Sn Sn0 1 0.85725200 0.45529400 0.67940500 1.0 Sn Sn1 1 0.35725200 0.54470600 0.82059500 1.0 Sn Sn2 1 0.14274800 0.54470600 0.32059500 1.0 Sn Sn3 1 0.64274800 0.45529400 0.17940500 1.0 Sn Sn4 1 0.89186500 0.77014300 0.95534100 1.0 Sn Sn5 1 0.39186500 0.22985700 0.54465900 1.0 Sn Sn6 1 0.10813500 0.22985700 0.04465900 1.0 Sn Sn7 1 0.60813500 0.77014300 0.45534100 1.0 Sn Sn8 1 0.64095400 0.13147300 0.91712500 1.0 Sn Sn9 1 0.14095400 0.86852700 0.58287500 1.0 Sn Sn10 1 0.35904600 0.86852700 0.08287500 1.0 Sn Sn11 1 0.85904600 0.13147300 0.41712500 1.0 P P12 1 0.65515700 0.93562800 0.68740200 1.0 P P13 1 0.15515700 0.06437200 0.81259800 1.0 P P14 1 0.34484300 0.06437200 0.31259800 1.0 P P15 1 0.84484300 0.93562800 0.18740200 1.0 O O16 1 0.57940300 0.02556600 0.77119700 1.0 O O17 1 0.07940300 0.97443400 0.72880300 1.0 O O18 1 0.42059700 0.97443400 0.22880300 1.0 O O19 1 0.92059700 0.02556600 0.27119700 1.0 O O20 1 0.56731500 0.92563900 0.59194100 1.0 O O21 1 0.06731500 0.07436100 0.90805900 1.0 O O22 1 0.43268500 0.07436100 0.40805900 1.0 O O23 1 0.93268500 0.92563900 0.09194100 1.0 O O24 1 0.70899300 0.63557000 0.74503300 1.0 O O25 1 0.20899300 0.36443000 0.75496700 1.0 O O26 1 0.29100700 0.36443000 0.25496700 1.0 O O27 1 0.79100700 0.63557000 0.24503300 1.0 O O28 1 0.75546900 0.15116100 0.63087700 1.0 O O29 1 0.25546900 0.84883900 0.86912300 1.0 O O30 1 0.24453100 0.84883900 0.36912300 1.0 O O31 1 0.74453100 0.15116100 0.13087700 1.0 O O32 1 0.70997300 0.71573200 0.00768300 1.0 O O33 1 0.20997300 0.28426800 0.49231700 1.0 O O34 1 0.29002700 0.28426800 0.99231700 1.0 O O35 1 0.79002700 0.71573200 0.50768300 1.0 O O36 1 0.81753900 0.15667700 0.85660600 1.0 O O37 1 0.31753900 0.84332300 0.64339400 1.0 O O38 1 0.18246100 0.84332300 0.14339400 1.0 O O39 1 0.68246100 0.15667700 0.35660600 1.0