# generated using pymatgen data_Li3Mn2P2O8F3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.06655500 _cell_length_b 9.13516300 _cell_length_c 10.36009400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3Mn2P2O8F3 _chemical_formula_sum 'Li12 Mn8 P8 O32 F12' _cell_volume 858.06916803 _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 0.00957300 0.28530600 0.50000000 1.0 Li Li1 1 0.05409800 0.81187500 0.00000000 1.0 Li Li2 1 0.23800100 0.49808000 0.00000000 1.0 Li Li3 1 0.26199900 0.99808000 0.50000000 1.0 Li Li4 1 0.44590200 0.31187500 0.50000000 1.0 Li Li5 1 0.49042700 0.78530600 0.00000000 1.0 Li Li6 1 0.50957300 0.21469400 0.00000000 1.0 Li Li7 1 0.55409800 0.68812500 0.50000000 1.0 Li Li8 1 0.73800100 0.00192000 0.50000000 1.0 Li Li9 1 0.76199900 0.50192000 0.00000000 1.0 Li Li10 1 0.94590200 0.18812500 0.00000000 1.0 Li Li11 1 0.99042700 0.71469400 0.50000000 1.0 Mn Mn12 1 0.24976500 0.24932900 0.19002800 1.0 Mn Mn13 1 0.24976500 0.24932900 0.80997200 1.0 Mn Mn14 1 0.25023500 0.74932900 0.30997200 1.0 Mn Mn15 1 0.25023500 0.74932900 0.69002800 1.0 Mn Mn16 1 0.74976500 0.25067100 0.30997200 1.0 Mn Mn17 1 0.74976500 0.25067100 0.69002800 1.0 Mn Mn18 1 0.75023500 0.75067100 0.19002800 1.0 Mn Mn19 1 0.75023500 0.75067100 0.80997200 1.0 P P20 1 0.00000000 0.00000000 0.25437800 1.0 P P21 1 0.00000000 0.00000000 0.74562200 1.0 P P22 1 0.00000000 0.50000000 0.74985500 1.0 P P23 1 0.00000000 0.50000000 0.25014500 1.0 P P24 1 0.50000000 0.50000000 0.24562200 1.0 P P25 1 0.50000000 0.00000000 0.24985500 1.0 P P26 1 0.50000000 0.00000000 0.75014500 1.0 P P27 1 0.50000000 0.50000000 0.75437800 1.0 O O28 1 0.08091900 0.60694100 0.34196400 1.0 O O29 1 0.08091900 0.60694100 0.65803600 1.0 O O30 1 0.08289000 0.10391800 0.16094700 1.0 O O31 1 0.08289000 0.10391800 0.83905300 1.0 O O32 1 0.10122100 0.91316400 0.34701300 1.0 O O33 1 0.10122100 0.91316400 0.65298700 1.0 O O34 1 0.10487700 0.41690700 0.15807800 1.0 O O35 1 0.10487700 0.41690700 0.84192200 1.0 O O36 1 0.39512300 0.91690700 0.34192200 1.0 O O37 1 0.39512300 0.91690700 0.65807800 1.0 O O38 1 0.39877900 0.41316400 0.84701300 1.0 O O39 1 0.39877900 0.41316400 0.15298700 1.0 O O40 1 0.41711000 0.60391800 0.33905300 1.0 O O41 1 0.41711000 0.60391800 0.66094700 1.0 O O42 1 0.41908100 0.10694100 0.15803600 1.0 O O43 1 0.41908100 0.10694100 0.84196400 1.0 O O44 1 0.58091900 0.89305900 0.84196400 1.0 O O45 1 0.58091900 0.89305900 0.15803600 1.0 O O46 1 0.58289000 0.39608200 0.33905300 1.0 O O47 1 0.58289000 0.39608200 0.66094700 1.0 O O48 1 0.60122100 0.58683600 0.15298700 1.0 O O49 1 0.60122100 0.58683600 0.84701300 1.0 O O50 1 0.60487700 0.08309300 0.34192200 1.0 O O51 1 0.60487700 0.08309300 0.65807800 1.0 O O52 1 0.89512300 0.58309300 0.84192200 1.0 O O53 1 0.89512300 0.58309300 0.15807800 1.0 O O54 1 0.89877900 0.08683600 0.34701300 1.0 O O55 1 0.89877900 0.08683600 0.65298700 1.0 O O56 1 0.91711000 0.89608200 0.16094700 1.0 O O57 1 0.91711000 0.89608200 0.83905300 1.0 O O58 1 0.91908100 0.39305900 0.34196400 1.0 O O59 1 0.91908100 0.39305900 0.65803600 1.0 F F60 1 0.25841400 0.23722200 0.37839300 1.0 F F61 1 0.25841400 0.23722200 0.62160700 1.0 F F62 1 0.24916900 0.25248500 0.00000000 1.0 F F63 1 0.25083100 0.75248500 0.50000000 1.0 F F64 1 0.24158600 0.73722200 0.12160700 1.0 F F65 1 0.24158600 0.73722200 0.87839300 1.0 F F66 1 0.75841400 0.26277800 0.12160700 1.0 F F67 1 0.75841400 0.26277800 0.87839300 1.0 F F68 1 0.74916900 0.24751500 0.50000000 1.0 F F69 1 0.75083100 0.74751500 0.00000000 1.0 F F70 1 0.74158600 0.76277800 0.37839300 1.0 F F71 1 0.74158600 0.76277800 0.62160700 1.0