# generated using pymatgen data_CaTiSn(PO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.98097891 _cell_length_b 8.98097920 _cell_length_c 8.98097933 _cell_angle_alpha 58.52300131 _cell_angle_beta 58.52300436 _cell_angle_gamma 58.52301278 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTiSn(PO4)3 _chemical_formula_sum 'Ca2 Ti2 Sn2 P6 O24' _cell_volume 494.91507127 _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 Ca Ca0 1 0.00338300 0.00338300 0.00338300 1.0 Ca Ca1 1 0.50338300 0.50338300 0.50338300 1.0 Ti Ti2 1 0.14598300 0.14598300 0.14598300 1.0 Ti Ti3 1 0.64598300 0.64598300 0.64598300 1.0 Sn Sn4 1 0.35267000 0.35267000 0.35267000 1.0 Sn Sn5 1 0.85267000 0.85267000 0.85267000 1.0 P P6 1 0.04060300 0.45639300 0.74960300 1.0 P P7 1 0.45639300 0.74960300 0.04060300 1.0 P P8 1 0.74960300 0.04060300 0.45639300 1.0 P P9 1 0.24960300 0.95639300 0.54060300 1.0 P P10 1 0.54060300 0.24960300 0.95639300 1.0 P P11 1 0.95639300 0.54060300 0.24960300 1.0 O O12 1 0.11518000 0.51746900 0.29185800 1.0 O O13 1 0.29185800 0.11518000 0.51746900 1.0 O O14 1 0.06046900 0.27243500 0.91708200 1.0 O O15 1 0.51746900 0.29185800 0.11518000 1.0 O O16 1 0.01746900 0.61518000 0.79185800 1.0 O O17 1 0.23012900 0.43624800 0.58305800 1.0 O O18 1 0.27243500 0.91708200 0.06046900 1.0 O O19 1 0.43624800 0.58305800 0.23012900 1.0 O O20 1 0.20164400 0.99440300 0.38138700 1.0 O O21 1 0.58305800 0.23012900 0.43624800 1.0 O O22 1 0.08305800 0.93624800 0.73012900 1.0 O O23 1 0.38138700 0.20164400 0.99440300 1.0 O O24 1 0.61518000 0.79185800 0.01746900 1.0 O O25 1 0.91708200 0.06046900 0.27243500 1.0 O O26 1 0.41708200 0.77243500 0.56046900 1.0 O O27 1 0.79185800 0.01746900 0.61518000 1.0 O O28 1 0.56046900 0.41708200 0.77243500 1.0 O O29 1 0.73012900 0.08305800 0.93624800 1.0 O O30 1 0.77243500 0.56046900 0.41708200 1.0 O O31 1 0.99440300 0.38138700 0.20164400 1.0 O O32 1 0.49440300 0.70164400 0.88138700 1.0 O O33 1 0.93624800 0.73012900 0.08305800 1.0 O O34 1 0.70164400 0.88138700 0.49440300 1.0 O O35 1 0.88138700 0.49440300 0.70164400 1.0