# generated using pymatgen data_LiMn2(PO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.68211600 _cell_length_b 9.11181347 _cell_length_c 12.58272405 _cell_angle_alpha 105.25110070 _cell_angle_beta 99.65666490 _cell_angle_gamma 104.26034882 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMn2(PO4)2 _chemical_formula_sum 'Li6 Mn12 P12 O48' _cell_volume 901.52627624 _cell_formula_units_Z 6 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 0.01296500 0.86144000 0.87271800 1.0 Li Li1 1 0.50000000 0.50000000 0.00000000 1.0 Li Li2 1 0.49880500 0.24838000 0.74942700 1.0 Li Li3 1 0.50000000 0.00000000 0.50000000 1.0 Li Li4 1 0.50119500 0.75162000 0.25057300 1.0 Li Li5 1 0.98703500 0.13856000 0.12728200 1.0 Mn Mn6 1 0.61661300 0.89609200 0.96072300 1.0 Mn Mn7 1 0.26349700 0.49111200 0.75532400 1.0 Mn Mn8 1 0.93392200 0.48387000 0.86814500 1.0 Mn Mn9 1 0.06401400 0.00913500 0.62806900 1.0 Mn Mn10 1 0.38140900 0.60464700 0.53840200 1.0 Mn Mn11 1 0.72948400 0.00830100 0.73869000 1.0 Mn Mn12 1 0.27051600 0.99169900 0.26131000 1.0 Mn Mn13 1 0.61859100 0.39535300 0.46159800 1.0 Mn Mn14 1 0.93598600 0.99086500 0.37193100 1.0 Mn Mn15 1 0.06607800 0.51613000 0.13185500 1.0 Mn Mn16 1 0.73650300 0.50888800 0.24467600 1.0 Mn Mn17 1 0.38338700 0.10390800 0.03927700 1.0 P P18 1 0.12632900 0.23410000 0.89114700 1.0 P P19 1 0.34484700 0.88013800 0.74989000 1.0 P P20 1 0.70978000 0.27045400 0.98006000 1.0 P P21 1 0.65463300 0.62296600 0.75071500 1.0 P P22 1 0.13184400 0.73863100 0.39220100 1.0 P P23 1 0.29053200 0.23028300 0.52069200 1.0 P P24 1 0.70946800 0.76971700 0.47930800 1.0 P P25 1 0.86815600 0.26136900 0.60779900 1.0 P P26 1 0.34536700 0.37703400 0.24928500 1.0 P P27 1 0.29022000 0.72954600 0.01994000 1.0 P P28 1 0.65515300 0.11986200 0.25011000 1.0 P P29 1 0.87367100 0.76590000 0.10885300 1.0 O O30 1 0.04263900 0.35618600 0.95278200 1.0 O O31 1 0.40292200 0.92695800 0.88282100 1.0 O O32 1 0.16840200 0.63738400 0.90071800 1.0 O O33 1 0.16720000 0.13490100 0.97010400 1.0 O O34 1 0.17284800 0.90309200 0.72477400 1.0 O O35 1 0.53575900 0.27028700 0.99470200 1.0 O O36 1 0.27739900 0.32833700 0.86166700 1.0 O O37 1 0.46952700 0.98693800 0.70623100 1.0 O O38 1 0.99957100 0.38407300 0.71413500 1.0 O O39 1 0.67538600 0.80436900 0.79968300 1.0 O O40 1 0.33091600 0.70100000 0.70006600 1.0 O O41 1 0.52939900 0.51694600 0.79405900 1.0 O O42 1 0.72493700 0.35094400 0.88527400 1.0 O O43 1 0.04548300 0.85786200 0.45275000 1.0 O O44 1 0.73709200 0.10516500 0.93495900 1.0 O O45 1 0.83146000 0.61176900 0.78664700 1.0 O O46 1 0.18623600 0.65039400 0.47358600 1.0 O O47 1 0.26842300 0.39710300 0.56804700 1.0 O O48 1 0.82881000 0.86547300 0.59794900 1.0 O O49 1 0.59409100 0.57361100 0.61707300 1.0 O O50 1 0.27434700 0.14929300 0.61498400 1.0 O O51 1 0.53424300 0.76929700 0.49511900 1.0 O O52 1 0.28053400 0.83265400 0.35950100 1.0 O O53 1 0.00471500 0.88961600 0.21531600 1.0 O O54 1 0.99528500 0.11038400 0.78468400 1.0 O O55 1 0.71946600 0.16734600 0.64049900 1.0 O O56 1 0.46575700 0.23070300 0.50488100 1.0 O O57 1 0.72565300 0.85070700 0.38501600 1.0 O O58 1 0.40590900 0.42638900 0.38292700 1.0 O O59 1 0.17119000 0.13452700 0.40205100 1.0 O O60 1 0.73157700 0.60289700 0.43195300 1.0 O O61 1 0.81376400 0.34960600 0.52641400 1.0 O O62 1 0.16854000 0.38823100 0.21335300 1.0 O O63 1 0.26290800 0.89483500 0.06504100 1.0 O O64 1 0.95451700 0.14213800 0.54725000 1.0 O O65 1 0.27506300 0.64905600 0.11472600 1.0 O O66 1 0.47060100 0.48305400 0.20594100 1.0 O O67 1 0.66908400 0.29900000 0.29993400 1.0 O O68 1 0.32461400 0.19563100 0.20031700 1.0 O O69 1 0.00042900 0.61592700 0.28586500 1.0 O O70 1 0.53047300 0.01306200 0.29376900 1.0 O O71 1 0.72260100 0.67166300 0.13833300 1.0 O O72 1 0.46424100 0.72971300 0.00529800 1.0 O O73 1 0.82715200 0.09690800 0.27522600 1.0 O O74 1 0.83280000 0.86509900 0.02989600 1.0 O O75 1 0.83159800 0.36261600 0.09928200 1.0 O O76 1 0.59707800 0.07304200 0.11717900 1.0 O O77 1 0.95736100 0.64381400 0.04721800 1.0