# generated using pymatgen data_Sc2(PO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.12322200 _cell_length_b 9.08050700 _cell_length_c 15.48978637 _cell_angle_alpha 54.37088202 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2(PO4)3 _chemical_formula_sum 'Sc8 P12 O48' _cell_volume 1043.01376065 _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 Sc Sc0 1 0.53754400 0.13226100 0.11973600 1.0 Sc Sc1 1 0.96359000 0.37162600 0.87903800 1.0 Sc Sc2 1 0.46359000 0.62837400 0.62096200 1.0 Sc Sc3 1 0.03754400 0.86773900 0.38026400 1.0 Sc Sc4 1 0.96245600 0.13226100 0.61973600 1.0 Sc Sc5 1 0.53641000 0.37162600 0.37903800 1.0 Sc Sc6 1 0.03641000 0.62837400 0.12096200 1.0 Sc Sc7 1 0.46245600 0.86773900 0.88026400 1.0 P P8 1 0.74970700 0.53537200 0.49814700 1.0 P P9 1 0.60883800 0.24768700 0.85645700 1.0 P P10 1 0.89404200 0.96383900 0.14224000 1.0 P P11 1 0.39404200 0.03616100 0.35776000 1.0 P P12 1 0.10883800 0.75231300 0.64354300 1.0 P P13 1 0.24970700 0.46462800 0.00185300 1.0 P P14 1 0.75029300 0.53537200 0.99814700 1.0 P P15 1 0.89116200 0.24768700 0.35645700 1.0 P P16 1 0.60595800 0.96383900 0.64224000 1.0 P P17 1 0.10595800 0.03616100 0.85776000 1.0 P P18 1 0.39116200 0.75231300 0.14354300 1.0 P P19 1 0.25029300 0.46462800 0.50185300 1.0 O O20 1 0.16002200 0.63747600 0.42594000 1.0 O O21 1 0.33475200 0.48360000 0.58115900 1.0 O O22 1 0.09109500 0.20507900 0.85781400 1.0 O O23 1 0.41621300 0.91485000 0.14848500 1.0 O O24 1 0.64001000 0.56373600 0.56246500 1.0 O O25 1 0.77162500 0.30278500 0.83618900 1.0 O O26 1 0.85330100 0.69913100 0.43836500 1.0 O O27 1 0.57011200 0.19245400 0.96849200 1.0 O O28 1 0.93712500 0.13340700 0.03220000 1.0 O O29 1 0.73359400 0.98664600 0.16311400 1.0 O O30 1 0.99415700 0.94487000 0.22777700 1.0 O O31 1 0.51170100 0.40706200 0.77386400 1.0 O O32 1 0.01170100 0.59293800 0.72613600 1.0 O O33 1 0.49415700 0.05513000 0.27222300 1.0 O O34 1 0.23359400 0.01335400 0.33688600 1.0 O O35 1 0.43712500 0.86659300 0.46780000 1.0 O O36 1 0.07011200 0.80754600 0.53150800 1.0 O O37 1 0.35330100 0.30086900 0.06163500 1.0 O O38 1 0.27162500 0.69721500 0.66381100 1.0 O O39 1 0.14001000 0.43626400 0.93753500 1.0 O O40 1 0.91621300 0.08515000 0.35151500 1.0 O O41 1 0.59109500 0.79492100 0.64218600 1.0 O O42 1 0.83475200 0.51640000 0.91884100 1.0 O O43 1 0.66002200 0.36252400 0.07406000 1.0 O O44 1 0.33997800 0.63747600 0.92594000 1.0 O O45 1 0.16524800 0.48360000 0.08115900 1.0 O O46 1 0.40890500 0.20507900 0.35781400 1.0 O O47 1 0.08378700 0.91485000 0.64848500 1.0 O O48 1 0.85999000 0.56373600 0.06246500 1.0 O O49 1 0.72837500 0.30278500 0.33618900 1.0 O O50 1 0.64669900 0.69913100 0.93836500 1.0 O O51 1 0.92988800 0.19245400 0.46849200 1.0 O O52 1 0.56287500 0.13340700 0.53220000 1.0 O O53 1 0.76640600 0.98664600 0.66311400 1.0 O O54 1 0.50584300 0.94487000 0.72777700 1.0 O O55 1 0.98829900 0.40706200 0.27386400 1.0 O O56 1 0.48829900 0.59293800 0.22613600 1.0 O O57 1 0.00584300 0.05513000 0.77222300 1.0 O O58 1 0.26640600 0.01335400 0.83688600 1.0 O O59 1 0.06287500 0.86659300 0.96780000 1.0 O O60 1 0.42988800 0.80754600 0.03150800 1.0 O O61 1 0.14669900 0.30086900 0.56163500 1.0 O O62 1 0.22837500 0.69721500 0.16381100 1.0 O O63 1 0.35999000 0.43626400 0.43753500 1.0 O O64 1 0.58378700 0.08515000 0.85151500 1.0 O O65 1 0.90890500 0.79492100 0.14218600 1.0 O O66 1 0.66524800 0.51640000 0.41884100 1.0 O O67 1 0.83997800 0.36252400 0.57406000 1.0