# generated using pymatgen data_LiFe2P3O13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.38190900 _cell_length_b 7.79741790 _cell_length_c 10.92681344 _cell_angle_alpha 74.76004621 _cell_angle_beta 85.20152170 _cell_angle_gamma 79.97385725 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiFe2P3O13 _chemical_formula_sum 'Li2 Fe4 P6 O26' _cell_volume 516.20020316 _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 Li Li0 1 0.80570200 0.42054500 0.17509000 1.0 Li Li1 1 0.19429800 0.57945500 0.82491000 1.0 Fe Fe2 1 0.78442900 0.81907900 0.89856600 1.0 Fe Fe3 1 0.21557100 0.18092100 0.10143400 1.0 Fe Fe4 1 0.24353100 0.26526000 0.59944700 1.0 Fe Fe5 1 0.75646900 0.73474000 0.40055300 1.0 P P6 1 0.87385100 0.52321800 0.69778400 1.0 P P7 1 0.72985700 0.07322300 0.11406300 1.0 P P8 1 0.76342900 0.20053000 0.66206200 1.0 P P9 1 0.23657100 0.79947000 0.33793800 1.0 P P10 1 0.12614900 0.47678200 0.30221600 1.0 P P11 1 0.27014300 0.92677700 0.88593700 1.0 O O12 1 0.41443100 0.99172200 0.53018200 1.0 O O13 1 0.48558800 0.79896100 0.87435700 1.0 O O14 1 0.88596300 0.52572500 0.34031900 1.0 O O15 1 0.10559000 0.79897800 0.88939200 1.0 O O16 1 0.11403700 0.47427500 0.65968100 1.0 O O17 1 0.78243000 0.33425400 0.75198600 1.0 O O18 1 0.75804400 0.65123400 0.05448600 1.0 O O19 1 0.13012100 0.39471900 0.19017000 1.0 O O20 1 0.26290700 0.36445000 0.41183000 1.0 O O21 1 0.58556900 0.00827800 0.46981800 1.0 O O22 1 0.86987900 0.60528100 0.80983000 1.0 O O23 1 0.55128000 0.27262500 0.59804400 1.0 O O24 1 0.21757000 0.66574600 0.24801400 1.0 O O25 1 0.95902500 0.21003000 0.56991400 1.0 O O26 1 0.51441200 0.20103900 0.12564300 1.0 O O27 1 0.89441000 0.20102200 0.11060800 1.0 O O28 1 0.76881100 0.00844200 0.74143400 1.0 O O29 1 0.75431300 0.91294500 0.23193200 1.0 O O30 1 0.23118900 0.99155800 0.25856600 1.0 O O31 1 0.73709300 0.63555000 0.58817000 1.0 O O32 1 0.04097500 0.78997000 0.43008600 1.0 O O33 1 0.24195600 0.34876600 0.94551400 1.0 O O34 1 0.25583800 0.98687300 0.00863900 1.0 O O35 1 0.74416200 0.01312700 0.99136100 1.0 O O36 1 0.44872000 0.72737500 0.40195600 1.0 O O37 1 0.24568700 0.08705500 0.76806800 1.0