# generated using pymatgen data_LiSnP2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18520100 _cell_length_b 8.92893600 _cell_length_c 14.44009236 _cell_angle_alpha 63.93812107 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiSnP2O7 _chemical_formula_sum 'Li4 Sn4 P8 O28' _cell_volume 600.57380700 _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 0.46786300 0.50489800 0.57987900 1.0 Li Li1 1 0.99633000 0.92253300 0.70186500 1.0 Li Li2 1 0.53213700 0.50489800 0.07987900 1.0 Li Li3 1 0.00367000 0.92253300 0.20186500 1.0 Sn Sn4 1 0.00277600 0.77154500 0.46951800 1.0 Sn Sn5 1 0.99722400 0.77154500 0.96951800 1.0 Sn Sn6 1 0.48924300 0.22543600 0.01838800 1.0 Sn Sn7 1 0.51075700 0.22543600 0.51838800 1.0 P P8 1 0.51061200 0.80395900 0.12506400 1.0 P P9 1 0.48938800 0.80395900 0.62506400 1.0 P P10 1 0.97843700 0.31100000 0.64882300 1.0 P P11 1 0.51246700 0.68863700 0.34817300 1.0 P P12 1 0.01047000 0.19095300 0.37923200 1.0 P P13 1 0.02156300 0.31100000 0.14882300 1.0 P P14 1 0.98953000 0.19095300 0.87923200 1.0 P P15 1 0.48753300 0.68863700 0.84817300 1.0 O O16 1 0.20045000 0.83586200 0.60886900 1.0 O O17 1 0.09949200 0.47687300 0.57701900 1.0 O O18 1 0.60399500 0.71638900 0.56336500 1.0 O O19 1 0.48265800 0.51482500 0.43776500 1.0 O O20 1 0.64307900 0.96347400 0.61007000 1.0 O O21 1 0.29912400 0.17498000 0.40875800 1.0 O O22 1 0.35692100 0.96347400 0.11007000 1.0 O O23 1 0.99731200 0.31651500 0.25915800 1.0 O O24 1 0.00268800 0.31651500 0.75915800 1.0 O O25 1 0.21077000 0.75756600 0.83900900 1.0 O O26 1 0.10972700 0.02715000 0.89159500 1.0 O O27 1 0.79955000 0.83586200 0.10886900 1.0 O O28 1 0.39600500 0.71638900 0.06336500 1.0 O O29 1 0.69036900 0.81395500 0.84901600 1.0 O O30 1 0.14500100 0.27756900 0.93237300 1.0 O O31 1 0.88009900 0.16050100 0.14831800 1.0 O O32 1 0.68224700 0.30289800 0.63181200 1.0 O O33 1 0.90050800 0.47687300 0.07701900 1.0 O O34 1 0.89027300 0.02715000 0.39159500 1.0 O O35 1 0.46000500 0.66786300 0.24361500 1.0 O O36 1 0.51734200 0.51482500 0.93776500 1.0 O O37 1 0.78923000 0.75756600 0.33900900 1.0 O O38 1 0.53999500 0.66786300 0.74361500 1.0 O O39 1 0.30963100 0.81395500 0.34901600 1.0 O O40 1 0.11990100 0.16050100 0.64831800 1.0 O O41 1 0.85499900 0.27756900 0.43237300 1.0 O O42 1 0.70087600 0.17498000 0.90875800 1.0 O O43 1 0.31775300 0.30289800 0.13181200 1.0