# generated using pymatgen data_Li3Mn4F15 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94353200 _cell_length_b 17.90613300 _cell_length_c 17.97340200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3Mn4F15 _chemical_formula_sum 'Li12 Mn16 F60' _cell_volume 1269.16317723 _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 0.00000000 0.00535400 0.17855300 1.0 Li Li1 1 0.00000000 0.33920200 0.02470200 1.0 Li Li2 1 0.00000000 0.31591200 0.40765100 1.0 Li Li3 1 0.00000000 0.50897000 0.37082900 1.0 Li Li4 1 0.00000000 0.81204800 0.13326200 1.0 Li Li5 1 0.00000000 0.80811600 0.51770300 1.0 Li Li6 1 0.50000000 0.49103000 0.87082900 1.0 Li Li7 1 0.50000000 0.66079800 0.52470200 1.0 Li Li8 1 0.50000000 0.68408800 0.90765100 1.0 Li Li9 1 0.50000000 0.19188400 0.01770300 1.0 Li Li10 1 0.50000000 0.18795200 0.63326200 1.0 Li Li11 1 0.50000000 0.99464600 0.67855300 1.0 Mn Mn12 1 0.00000000 0.02623500 0.82301200 1.0 Mn Mn13 1 0.00000000 0.96333300 0.02350000 1.0 Mn Mn14 1 0.00000000 0.46469900 0.52536000 1.0 Mn Mn15 1 0.00000000 0.31482800 0.67425800 1.0 Mn Mn16 1 0.00000000 0.23918400 0.88009900 1.0 Mn Mn17 1 0.00000000 0.52504600 0.72763000 1.0 Mn Mn18 1 0.00000000 0.73477200 0.66788300 1.0 Mn Mn19 1 0.00000000 0.81448200 0.87217800 1.0 Mn Mn20 1 0.50000000 0.26522800 0.16788300 1.0 Mn Mn21 1 0.50000000 0.47495400 0.22763000 1.0 Mn Mn22 1 0.50000000 0.68517200 0.17425800 1.0 Mn Mn23 1 0.50000000 0.03666700 0.52350000 1.0 Mn Mn24 1 0.50000000 0.18551800 0.37217800 1.0 Mn Mn25 1 0.50000000 0.53530100 0.02536000 1.0 Mn Mn26 1 0.50000000 0.76081600 0.38009900 1.0 Mn Mn27 1 0.50000000 0.97376500 0.32301200 1.0 F F28 1 0.00000000 0.05008500 0.07811500 1.0 F F29 1 0.00000000 0.27037200 0.16321700 1.0 F F30 1 0.00000000 0.03708500 0.51816400 1.0 F F31 1 0.00000000 0.53273000 0.03146500 1.0 F F32 1 0.00000000 0.19769400 0.37674800 1.0 F F33 1 0.00000000 0.47397300 0.23468000 1.0 F F34 1 0.00000000 0.01068100 0.71806600 1.0 F F35 1 0.00000000 0.69682000 0.16989600 1.0 F F36 1 0.00000000 0.41605500 0.42483300 1.0 F F37 1 0.00000000 0.21630900 0.63478800 1.0 F F38 1 0.00000000 0.91312200 0.12177400 1.0 F F39 1 0.00000000 0.36878500 0.57029300 1.0 F F40 1 0.00000000 0.02478600 0.92900800 1.0 F F41 1 0.00000000 0.14286200 0.83679100 1.0 F F42 1 0.00000000 0.55388700 0.47310900 1.0 F F43 1 0.00000000 0.27668400 0.78155800 1.0 F F44 1 0.00000000 0.76539100 0.38815800 1.0 F F45 1 0.00000000 0.52716300 0.62243500 1.0 F F46 1 0.00000000 0.41042500 0.71598600 1.0 F F47 1 0.00000000 0.20477200 0.98253500 1.0 F F48 1 0.00000000 0.33522600 0.91912800 1.0 F F49 1 0.00000000 0.97265200 0.31536700 1.0 F F50 1 0.00000000 0.69339100 0.56588500 1.0 F F51 1 0.00000000 0.50752000 0.83155500 1.0 F F52 1 0.00000000 0.64154500 0.71793800 1.0 F F53 1 0.00000000 0.82680000 0.62224700 1.0 F F54 1 0.00000000 0.77918700 0.76434700 1.0 F F55 1 0.00000000 0.71454600 0.90813700 1.0 F F56 1 0.00000000 0.91048500 0.83268900 1.0 F F57 1 0.00000000 0.86679800 0.97726800 1.0 F F58 1 0.50000000 0.22081300 0.26434700 1.0 F F59 1 0.50000000 0.28545400 0.40813700 1.0 F F60 1 0.50000000 0.30660900 0.06588500 1.0 F F61 1 0.50000000 0.23460900 0.88815800 1.0 F F62 1 0.50000000 0.08687800 0.62177400 1.0 F F63 1 0.50000000 0.35845500 0.21793800 1.0 F F64 1 0.50000000 0.63121500 0.07029300 1.0 F F65 1 0.50000000 0.66477400 0.41912800 1.0 F F66 1 0.50000000 0.72331600 0.28155800 1.0 F F67 1 0.50000000 0.58394500 0.92483300 1.0 F F68 1 0.50000000 0.08951500 0.33268900 1.0 F F69 1 0.50000000 0.13320200 0.47726800 1.0 F F70 1 0.50000000 0.30318000 0.66989600 1.0 F F71 1 0.50000000 0.44611300 0.97310900 1.0 F F72 1 0.50000000 0.47283700 0.12243500 1.0 F F73 1 0.50000000 0.98931900 0.21806600 1.0 F F74 1 0.50000000 0.02734800 0.81536700 1.0 F F75 1 0.50000000 0.49248000 0.33155500 1.0 F F76 1 0.50000000 0.58957500 0.21598600 1.0 F F77 1 0.50000000 0.46727000 0.53146500 1.0 F F78 1 0.50000000 0.78369100 0.13478800 1.0 F F79 1 0.50000000 0.52602700 0.73468000 1.0 F F80 1 0.50000000 0.79522800 0.48253500 1.0 F F81 1 0.50000000 0.85713800 0.33679100 1.0 F F82 1 0.50000000 0.72962800 0.66321700 1.0 F F83 1 0.50000000 0.94991500 0.57811500 1.0 F F84 1 0.50000000 0.80230600 0.87674800 1.0 F F85 1 0.50000000 0.17320000 0.12224700 1.0 F F86 1 0.50000000 0.97521400 0.42900800 1.0 F F87 1 0.50000000 0.96291500 0.01816400 1.0