# generated using pymatgen data_LiSn(PO3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.55785200 _cell_length_b 9.55785200 _cell_length_c 9.51758300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiSn(PO3)4 _chemical_formula_sum 'Li4 Sn4 P16 O48' _cell_volume 869.45533273 _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 Li Li0 1 0.25000000 0.75000000 0.25000000 1.0 Li Li1 1 0.75000000 0.25000000 0.25000000 1.0 Li Li2 1 0.25000000 0.25000000 0.75000000 1.0 Li Li3 1 0.75000000 0.75000000 0.75000000 1.0 Sn Sn4 1 0.00000000 0.50000000 0.25000000 1.0 Sn Sn5 1 0.50000000 0.00000000 0.75000000 1.0 Sn Sn6 1 0.50000000 0.00000000 0.25000000 1.0 Sn Sn7 1 0.00000000 0.50000000 0.75000000 1.0 P P8 1 0.00000000 0.22303900 0.00000000 1.0 P P9 1 0.72303900 0.50000000 0.50000000 1.0 P P10 1 0.78378300 0.00000000 0.50000000 1.0 P P11 1 0.00000000 0.78378300 0.50000000 1.0 P P12 1 0.00000000 0.77696100 0.00000000 1.0 P P13 1 0.71621700 0.50000000 0.00000000 1.0 P P14 1 0.27696100 0.50000000 0.50000000 1.0 P P15 1 0.50000000 0.72303900 0.50000000 1.0 P P16 1 0.21621700 0.00000000 0.50000000 1.0 P P17 1 0.22303900 0.00000000 0.00000000 1.0 P P18 1 0.50000000 0.27696100 0.50000000 1.0 P P19 1 0.50000000 0.28378300 0.00000000 1.0 P P20 1 0.50000000 0.71621700 0.00000000 1.0 P P21 1 0.77696100 0.00000000 0.00000000 1.0 P P22 1 0.00000000 0.21621700 0.50000000 1.0 P P23 1 0.28378300 0.50000000 0.00000000 1.0 O O24 1 0.79986800 0.56369100 0.37847800 1.0 O O25 1 0.20013200 0.56369100 0.62152200 1.0 O O26 1 0.38401500 0.61598500 0.43344400 1.0 O O27 1 0.61077600 0.38922400 0.92772300 1.0 O O28 1 0.79280800 0.57263400 0.88241100 1.0 O O29 1 0.06369100 0.70013200 0.87847800 1.0 O O30 1 0.57263400 0.79280800 0.88241100 1.0 O O31 1 0.43630900 0.20013200 0.37847800 1.0 O O32 1 0.56369100 0.20013200 0.62152200 1.0 O O33 1 0.11077600 0.88922400 0.57227700 1.0 O O34 1 0.07263400 0.70719200 0.38241100 1.0 O O35 1 0.20013200 0.43630900 0.37847800 1.0 O O36 1 0.43630900 0.79986800 0.62152200 1.0 O O37 1 0.79986800 0.43630900 0.62152200 1.0 O O38 1 0.56369100 0.79986800 0.37847800 1.0 O O39 1 0.29280800 0.92736600 0.38241100 1.0 O O40 1 0.93630900 0.29986800 0.87847800 1.0 O O41 1 0.11598500 0.88401500 0.06655600 1.0 O O42 1 0.11077600 0.11077600 0.42772300 1.0 O O43 1 0.38922400 0.38922400 0.07227700 1.0 O O44 1 0.92736600 0.70719200 0.61758900 1.0 O O45 1 0.20719200 0.42736600 0.88241100 1.0 O O46 1 0.29986800 0.93630900 0.87847800 1.0 O O47 1 0.79280800 0.42736600 0.11758900 1.0 O O48 1 0.29280800 0.07263400 0.61758900 1.0 O O49 1 0.38401500 0.38401500 0.56655600 1.0 O O50 1 0.93630900 0.70013200 0.12152200 1.0 O O51 1 0.06369100 0.29986800 0.12152200 1.0 O O52 1 0.38922400 0.61077600 0.92772300 1.0 O O53 1 0.42736600 0.79280800 0.11758900 1.0 O O54 1 0.88401500 0.88401500 0.93344400 1.0 O O55 1 0.57263400 0.20719200 0.11758900 1.0 O O56 1 0.61598500 0.38401500 0.43344400 1.0 O O57 1 0.70013200 0.06369100 0.87847800 1.0 O O58 1 0.07263400 0.29280800 0.61758900 1.0 O O59 1 0.88922400 0.88922400 0.42772300 1.0 O O60 1 0.20719200 0.57263400 0.11758900 1.0 O O61 1 0.92736600 0.29280800 0.38241100 1.0 O O62 1 0.70719200 0.92736600 0.61758900 1.0 O O63 1 0.61598500 0.61598500 0.56655600 1.0 O O64 1 0.88401500 0.11598500 0.06655600 1.0 O O65 1 0.61077600 0.61077600 0.07227700 1.0 O O66 1 0.29986800 0.06369100 0.12152200 1.0 O O67 1 0.11598500 0.11598500 0.93344400 1.0 O O68 1 0.70719200 0.07263400 0.38241100 1.0 O O69 1 0.88922400 0.11077600 0.57227700 1.0 O O70 1 0.70013200 0.93630900 0.12152200 1.0 O O71 1 0.42736600 0.20719200 0.88241100 1.0