# generated using pymatgen data_Li47Mn5As19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31762878 _cell_length_b 4.31762948 _cell_length_c 82.12767052 _cell_angle_alpha 60.03952921 _cell_angle_beta 60.03952369 _cell_angle_gamma 59.98602151 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li47Mn5As19 _chemical_formula_sum 'Li47 Mn5 As19' _cell_volume 1083.12462487 _cell_formula_units_Z 1 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 0.24296200 0.24296200 0.01423500 1.0 Li Li1 1 0.76202200 0.76202200 0.03752500 1.0 Li Li2 1 0.74453200 0.74453200 0.09295000 1.0 Li Li3 1 0.74452600 0.74452600 0.14556000 1.0 Li Li4 1 0.27247300 0.27247300 0.27271500 1.0 Li Li5 1 0.74777500 0.74777500 0.19776200 1.0 Li Li6 1 0.25379600 0.25379600 0.32835400 1.0 Li Li7 1 0.75752500 0.75752500 0.24880200 1.0 Li Li8 1 0.50937700 0.50937700 0.28798900 1.0 Li Li9 1 0.25178200 0.25178200 0.38135600 1.0 Li Li10 1 0.75325900 0.75325900 0.30209500 1.0 Li Li11 1 0.50639600 0.50639600 0.34110700 1.0 Li Li12 1 0.50542400 0.50542400 0.39391700 1.0 Li Li13 1 0.75214600 0.75214600 0.35494400 1.0 Li Li14 1 0.25101700 0.25101700 0.43409200 1.0 Li Li15 1 0.75102700 0.75102700 0.40776900 1.0 Li Li16 1 0.50499800 0.50499800 0.44659600 1.0 Li Li17 1 0.25131300 0.25131300 0.48663000 1.0 Li Li18 1 0.51321900 0.51321900 0.49788800 1.0 Li Li19 1 0.75280500 0.75280500 0.46007700 1.0 Li Li20 1 0.48508700 0.48508700 0.55493100 1.0 Li Li21 1 0.24641800 0.24641800 0.59263600 1.0 Li Li22 1 0.74395300 0.74395300 0.51410000 1.0 Li Li23 1 0.25005200 0.25005200 0.64471400 1.0 Li Li24 1 0.49732600 0.49732600 0.60566800 1.0 Li Li25 1 0.75241900 0.75241900 0.56536600 1.0 Li Li26 1 0.49532600 0.49532600 0.65862900 1.0 Li Li27 1 0.25011400 0.25011400 0.69737700 1.0 Li Li28 1 0.74860400 0.74860400 0.61859200 1.0 Li Li29 1 0.74945600 0.74945600 0.67112400 1.0 Li Li30 1 0.49580800 0.49580800 0.71120500 1.0 Li Li31 1 0.25039000 0.25039000 0.74998900 1.0 Li Li32 1 0.49579400 0.49579400 0.76384000 1.0 Li Li33 1 0.74995000 0.74995000 0.72371900 1.0 Li Li34 1 0.25043200 0.25043200 0.80261300 1.0 Li Li35 1 0.49598900 0.49598900 0.81643900 1.0 Li Li36 1 0.25081500 0.25081500 0.85518400 1.0 Li Li37 1 0.75005200 0.75005200 0.77633400 1.0 Li Li38 1 0.75017200 0.75017200 0.82895000 1.0 Li Li39 1 0.25089500 0.25089500 0.90777600 1.0 Li Li40 1 0.49596400 0.49596400 0.86905600 1.0 Li Li41 1 0.49595100 0.49595100 0.92168100 1.0 Li Li42 1 0.25054600 0.25054600 0.96041900 1.0 Li Li43 1 0.75054400 0.75054400 0.88152400 1.0 Li Li44 1 0.75020200 0.75020200 0.93422100 1.0 Li Li45 1 0.49132500 0.49132500 0.97508000 1.0 Li Li46 1 0.73534900 0.73534900 0.98916800 1.0 Mn Mn47 1 0.24714000 0.24714000 0.06628000 1.0 Mn Mn48 1 0.24461500 0.24461500 0.11926200 1.0 Mn Mn49 1 0.24192800 0.24192800 0.17231900 1.0 Mn Mn50 1 0.24408800 0.24408800 0.22463000 1.0 Mn Mn51 1 0.25420500 0.25420500 0.53875500 1.0 As As52 1 0.00885200 0.00885200 0.99860100 1.0 As As53 1 0.98662500 0.98662500 0.05468400 1.0 As As54 1 0.99407700 0.99407700 0.10612600 1.0 As As55 1 0.99623500 0.99623500 0.15843800 1.0 As As56 1 0.00155400 0.00155400 0.21023500 1.0 As As57 1 0.00065400 0.00065400 0.26299700 1.0 As As58 1 0.00117300 0.00117300 0.31557500 1.0 As As59 1 0.99810200 0.99810200 0.36878300 1.0 As As60 1 0.99754000 0.99754000 0.42149300 1.0 As As61 1 0.99587700 0.99587700 0.47429800 1.0 As As62 1 0.99769900 0.99769900 0.52667100 1.0 As As63 1 0.00280700 0.00280700 0.63108200 1.0 As As64 1 0.00259800 0.00259800 0.57848100 1.0 As As65 1 0.00398400 0.00398400 0.68359700 1.0 As As66 1 0.00438000 0.00438000 0.73622400 1.0 As As67 1 0.00437800 0.00437800 0.78884900 1.0 As As68 1 0.00471500 0.00471500 0.84143600 1.0 As As69 1 0.00503200 0.00503200 0.89397600 1.0 As As70 1 0.00443300 0.00443300 0.94662200 1.0