# generated using pymatgen data_MgTiSn(PO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.63873469 _cell_length_b 8.64951763 _cell_length_c 8.64931490 _cell_angle_alpha 60.88360312 _cell_angle_beta 60.93373918 _cell_angle_gamma 60.88499828 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTiSn(PO4)3 _chemical_formula_sum 'Mg2 Ti2 Sn2 P6 O24' _cell_volume 466.27048026 _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 Mg Mg0 1 0.00437600 0.00436500 0.00432300 1.0 Mg Mg1 1 0.50432300 0.50435700 0.50434500 1.0 Ti Ti2 1 0.14412300 0.14432300 0.14401900 1.0 Ti Ti3 1 0.64383300 0.64440800 0.64421600 1.0 Sn Sn4 1 0.35468600 0.35463700 0.35463300 1.0 Sn Sn5 1 0.85468200 0.85462500 0.85466200 1.0 P P6 1 0.04654900 0.45042800 0.74924600 1.0 P P7 1 0.45038100 0.74920900 0.04657300 1.0 P P8 1 0.74921500 0.04637200 0.45052200 1.0 P P9 1 0.24914600 0.95057900 0.54643800 1.0 P P10 1 0.54658300 0.24929300 0.95035700 1.0 P P11 1 0.95037500 0.54649600 0.24925500 1.0 O O12 1 0.10563000 0.51642000 0.31071600 1.0 O O13 1 0.31075200 0.10560700 0.51641800 1.0 O O14 1 0.05981700 0.25823900 0.90879800 1.0 O O15 1 0.51640500 0.31069600 0.10562200 1.0 O O16 1 0.01645100 0.60561700 0.81071400 1.0 O O17 1 0.24419400 0.43671900 0.59084700 1.0 O O18 1 0.25821100 0.90878200 0.05982400 1.0 O O19 1 0.43676200 0.59081300 0.24413000 1.0 O O20 1 0.18263900 0.99566300 0.39111200 1.0 O O21 1 0.59090000 0.24411400 0.43670500 1.0 O O22 1 0.09091100 0.93669800 0.74412000 1.0 O O23 1 0.39081000 0.18257700 0.99581500 1.0 O O24 1 0.60563500 0.81068700 0.01641100 1.0 O O25 1 0.90890800 0.05987300 0.25816800 1.0 O O26 1 0.40886700 0.75816500 0.55987200 1.0 O O27 1 0.81075000 0.01639300 0.60562800 1.0 O O28 1 0.55975400 0.40875400 0.75831200 1.0 O O29 1 0.74420800 0.09080100 0.93673300 1.0 O O30 1 0.75814700 0.55984300 0.40880800 1.0 O O31 1 0.99575200 0.39099400 0.18260000 1.0 O O32 1 0.49578200 0.68257300 0.89091500 1.0 O O33 1 0.93674800 0.74408500 0.09086600 1.0 O O34 1 0.68267600 0.89107800 0.49569500 1.0 O O35 1 0.89101700 0.49571800 0.68258300 1.0