# generated using pymatgen data_Ti2Sn(PO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.04861576 _cell_length_b 9.04861576 _cell_length_c 9.04861633 _cell_angle_alpha 57.23965491 _cell_angle_beta 57.23965491 _cell_angle_gamma 57.23965966 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2Sn(PO4)3 _chemical_formula_sum 'Ti4 Sn2 P6 O24' _cell_volume 490.57605414 _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 Ti Ti0 1 0.14863000 0.14863000 0.14863000 1.0 Ti Ti1 1 0.35137000 0.35137000 0.35137000 1.0 Ti Ti2 1 0.64863000 0.64863000 0.64863000 1.0 Ti Ti3 1 0.85137000 0.85137000 0.85137000 1.0 Sn Sn4 1 0.00000000 0.00000000 0.00000000 1.0 Sn Sn5 1 0.50000000 0.50000000 0.50000000 1.0 P P6 1 0.46193300 0.75000000 0.03806700 1.0 P P7 1 0.75000000 0.03806700 0.46193300 1.0 P P8 1 0.03806700 0.46193300 0.75000000 1.0 P P9 1 0.96193300 0.53806700 0.25000000 1.0 P P10 1 0.25000000 0.96193300 0.53806700 1.0 P P11 1 0.53806700 0.25000000 0.96193300 1.0 O O12 1 0.50591800 0.28723900 0.12633600 1.0 O O13 1 0.12633600 0.50591800 0.28723900 1.0 O O14 1 0.27854800 0.92269700 0.06171100 1.0 O O15 1 0.28723900 0.12633600 0.50591800 1.0 O O16 1 0.62633600 0.78723900 0.00591800 1.0 O O17 1 0.43828900 0.57730300 0.22145200 1.0 O O18 1 0.92269700 0.06171100 0.27854800 1.0 O O19 1 0.57730300 0.22145200 0.43828900 1.0 O O20 1 0.99408200 0.37366400 0.21276100 1.0 O O21 1 0.22145200 0.43828900 0.57730300 1.0 O O22 1 0.93828900 0.72145200 0.07730300 1.0 O O23 1 0.21276100 0.99408200 0.37366400 1.0 O O24 1 0.78723900 0.00591800 0.62633600 1.0 O O25 1 0.06171100 0.27854800 0.92269700 1.0 O O26 1 0.77854800 0.56171100 0.42269700 1.0 O O27 1 0.00591800 0.62633600 0.78723900 1.0 O O28 1 0.42269700 0.77854800 0.56171100 1.0 O O29 1 0.07730300 0.93828900 0.72145200 1.0 O O30 1 0.56171100 0.42269700 0.77854800 1.0 O O31 1 0.37366400 0.21276100 0.99408200 1.0 O O32 1 0.71276100 0.87366400 0.49408200 1.0 O O33 1 0.72145200 0.07730300 0.93828900 1.0 O O34 1 0.87366400 0.49408200 0.71276100 1.0 O O35 1 0.49408200 0.71276100 0.87366400 1.0