# generated using pymatgen data_LiSn(PO3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.09495700 _cell_length_b 7.18278600 _cell_length_c 11.93405089 _cell_angle_alpha 54.01444369 _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 908.28481992 _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 0.21845300 0.56995500 0.94239500 1.0 Li Li1 1 0.71845300 0.43004500 0.55760500 1.0 Li Li2 1 0.28154700 0.56995500 0.44239500 1.0 Li Li3 1 0.78154700 0.43004500 0.05760500 1.0 Sn Sn4 1 0.78241400 0.03135900 0.97906400 1.0 Sn Sn5 1 0.28241400 0.96864100 0.52093600 1.0 Sn Sn6 1 0.71758600 0.03135900 0.47906400 1.0 Sn Sn7 1 0.21758600 0.96864100 0.02093600 1.0 P P8 1 0.62933300 0.83634600 0.80760700 1.0 P P9 1 0.40770600 0.92321200 0.80011000 1.0 P P10 1 0.88384800 0.61491000 0.76693000 1.0 P P11 1 0.10303200 0.49581800 0.76081300 1.0 P P12 1 0.60303200 0.50418200 0.73918700 1.0 P P13 1 0.38384800 0.38509000 0.73307000 1.0 P P14 1 0.90770600 0.07678800 0.69989000 1.0 P P15 1 0.12933300 0.16365400 0.69239300 1.0 P P16 1 0.87066700 0.83634600 0.30760700 1.0 P P17 1 0.09229400 0.92321200 0.30011000 1.0 P P18 1 0.61615200 0.61491000 0.26693000 1.0 P P19 1 0.39696800 0.49581800 0.26081300 1.0 P P20 1 0.89696800 0.50418200 0.23918700 1.0 P P21 1 0.11615200 0.38509000 0.23307000 1.0 P P22 1 0.59229400 0.07678800 0.19989000 1.0 P P23 1 0.37066700 0.16365400 0.19239300 1.0 O O24 1 0.33352900 0.82757000 0.91774000 1.0 O O25 1 0.10961800 0.30659300 0.91444000 1.0 O O26 1 0.85083500 0.40631800 0.90728100 1.0 O O27 1 0.71331900 0.80794800 0.90224600 1.0 O O28 1 0.52091800 0.84491200 0.86875600 1.0 O O29 1 0.30861200 0.28554200 0.84898900 1.0 O O30 1 0.13358500 0.97264500 0.84572500 1.0 O O31 1 0.62627600 0.59044800 0.83311600 1.0 O O32 1 0.66778300 0.29488600 0.78794000 1.0 O O33 1 0.48683700 0.42438000 0.78806000 1.0 O O34 1 0.91782500 0.80155600 0.79288400 1.0 O O35 1 0.89069100 0.14335900 0.79724300 1.0 O O36 1 0.39069100 0.85664100 0.70275700 1.0 O O37 1 0.98683700 0.57562000 0.71194000 1.0 O O38 1 0.41782500 0.19844400 0.70711600 1.0 O O39 1 0.16778300 0.70511400 0.71206000 1.0 O O40 1 0.12627600 0.40955200 0.66688400 1.0 O O41 1 0.63358500 0.02735500 0.65427500 1.0 O O42 1 0.80861200 0.71445800 0.65101100 1.0 O O43 1 0.02091800 0.15508800 0.63124400 1.0 O O44 1 0.35083500 0.59368200 0.59271900 1.0 O O45 1 0.21331900 0.19205200 0.59775400 1.0 O O46 1 0.60961800 0.69340700 0.58556000 1.0 O O47 1 0.83352900 0.17243000 0.58226000 1.0 O O48 1 0.16647100 0.82757000 0.41774000 1.0 O O49 1 0.39038200 0.30659300 0.41444000 1.0 O O50 1 0.78668100 0.80794800 0.40224600 1.0 O O51 1 0.64916500 0.40631800 0.40728100 1.0 O O52 1 0.97908200 0.84491200 0.36875600 1.0 O O53 1 0.19138800 0.28554200 0.34898900 1.0 O O54 1 0.36641500 0.97264500 0.34572500 1.0 O O55 1 0.87372400 0.59044800 0.33311600 1.0 O O56 1 0.83221700 0.29488600 0.28794000 1.0 O O57 1 0.58217500 0.80155600 0.29288400 1.0 O O58 1 0.01316300 0.42438000 0.28806000 1.0 O O59 1 0.60930900 0.14335900 0.29724300 1.0 O O60 1 0.10930900 0.85664100 0.20275700 1.0 O O61 1 0.08217500 0.19844400 0.20711600 1.0 O O62 1 0.51316300 0.57562000 0.21194000 1.0 O O63 1 0.33221700 0.70511400 0.21206000 1.0 O O64 1 0.37372400 0.40955200 0.16688400 1.0 O O65 1 0.86641500 0.02735500 0.15427500 1.0 O O66 1 0.69138800 0.71445800 0.15101100 1.0 O O67 1 0.47908200 0.15508800 0.13124400 1.0 O O68 1 0.28668100 0.19205200 0.09775400 1.0 O O69 1 0.14916500 0.59368200 0.09271900 1.0 O O70 1 0.89038200 0.69340700 0.08556000 1.0 O O71 1 0.66647100 0.17243000 0.08226000 1.0