# generated using pymatgen data_LiMn2(PO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.59119595 _cell_length_b 9.06824005 _cell_length_c 8.59345823 _cell_angle_alpha 104.67206103 _cell_angle_beta 80.45557922 _cell_angle_gamma 74.92400716 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMn2(PO4)2 _chemical_formula_sum 'Li6 Mn12 P12 O48' _cell_volume 887.89365508 _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 0.12145200 0.87043700 0.01130400 1.0 Li Li1 1 0.23778300 0.26298900 0.49382700 1.0 Li Li2 1 0.39239900 0.61843900 0.99186000 1.0 Li Li3 1 0.50133100 0.99785400 0.49783000 1.0 Li Li4 1 0.76229700 0.73749500 0.50855200 1.0 Li Li5 1 0.86331000 0.14123400 0.98832400 1.0 Mn Mn6 1 0.03962200 0.89722200 0.61588300 1.0 Mn Mn7 1 0.23254800 0.48790100 0.27720000 1.0 Mn Mn8 1 0.13008500 0.48752300 0.93340300 1.0 Mn Mn9 1 0.36900700 0.01441000 0.06445700 1.0 Mn Mn10 1 0.46194500 0.60157900 0.37966900 1.0 Mn Mn11 1 0.26169700 0.01144800 0.72361800 1.0 Mn Mn12 1 0.73732300 0.98986000 0.27473600 1.0 Mn Mn13 1 0.54171500 0.39516300 0.61397100 1.0 Mn Mn14 1 0.62954400 0.99075900 0.93434400 1.0 Mn Mn15 1 0.87034600 0.51616700 0.06721900 1.0 Mn Mn16 1 0.76387700 0.50842100 0.73208700 1.0 Mn Mn17 1 0.96026900 0.10302800 0.38296200 1.0 P P18 1 0.10920300 0.22728700 0.12595800 1.0 P P19 1 0.24933700 0.87173300 0.34019600 1.0 P P20 1 0.02086200 0.26567500 0.70458100 1.0 P P21 1 0.25414200 0.62501400 0.65917000 1.0 P P22 1 0.60473200 0.73955900 0.12864600 1.0 P P23 1 0.47913600 0.23016300 0.29277900 1.0 P P24 1 0.52100800 0.76957800 0.70686200 1.0 P P25 1 0.39312700 0.26772900 0.87036900 1.0 P P26 1 0.74924000 0.37739800 0.34259500 1.0 P P27 1 0.97858000 0.73430900 0.29607000 1.0 P P28 1 0.75221600 0.12067800 0.65529700 1.0 P P29 1 0.88966900 0.77193500 0.87484000 1.0 O O30 1 0.04310200 0.35156300 0.05272600 1.0 O O31 1 0.11640400 0.92455500 0.40543800 1.0 O O32 1 0.09731900 0.63529300 0.17437200 1.0 O O33 1 0.03310900 0.12369900 0.17257500 1.0 O O34 1 0.27834900 0.88048800 0.15994100 1.0 O O35 1 0.00600700 0.25774500 0.52719400 1.0 O O36 1 0.15299900 0.30716200 0.27151500 1.0 O O37 1 0.29436300 0.98192500 0.46300700 1.0 O O38 1 0.28469700 0.38961800 0.00432600 1.0 O O39 1 0.20120000 0.80505000 0.66978300 1.0 O O40 1 0.29789900 0.69093100 0.32677800 1.0 O O41 1 0.21275100 0.51010400 0.53687200 1.0 O O42 1 0.11883700 0.33779000 0.72219700 1.0 O O43 1 0.54688500 0.86024400 0.04084800 1.0 O O44 1 0.06193200 0.09893400 0.73643500 1.0 O O45 1 0.22266800 0.62120300 0.84124600 1.0 O O46 1 0.51824300 0.65310800 0.17532600 1.0 O O47 1 0.43137300 0.39846900 0.27176300 1.0 O O48 1 0.40204700 0.86391200 0.82905100 1.0 O O49 1 0.38666000 0.57817300 0.59748100 1.0 O O50 1 0.38484300 0.14967100 0.27716600 1.0 O O51 1 0.50419900 0.76744200 0.53023100 1.0 O O52 1 0.63405800 0.83538700 0.28347400 1.0 O O53 1 0.78739500 0.90051200 0.01599000 1.0 O O54 1 0.21270900 0.09998400 0.98489300 1.0 O O55 1 0.36305000 0.16881600 0.71822000 1.0 O O56 1 0.49730800 0.23106400 0.46939500 1.0 O O57 1 0.61427900 0.85174900 0.72422200 1.0 O O58 1 0.61591700 0.42222800 0.39979800 1.0 O O59 1 0.59770900 0.13293100 0.17132500 1.0 O O60 1 0.56638200 0.60204400 0.73314500 1.0 O O61 1 0.46404300 0.37498700 0.82175900 1.0 O O62 1 0.78694000 0.38518300 0.16425400 1.0 O O63 1 0.93786500 0.89971600 0.26175100 1.0 O O64 1 0.45793900 0.15020400 0.95265200 1.0 O O65 1 0.88149600 0.66035000 0.27815500 1.0 O O66 1 0.78660600 0.49078500 0.47265700 1.0 O O67 1 0.70090000 0.30110700 0.67104400 1.0 O O68 1 0.80008200 0.19552000 0.32775000 1.0 O O69 1 0.71431800 0.61635500 0.00114300 1.0 O O70 1 0.70743400 0.01170100 0.53021200 1.0 O O71 1 0.84626800 0.69069000 0.73019500 1.0 O O72 1 0.99308100 0.74248900 0.47364700 1.0 O O73 1 0.73135600 0.09620800 0.82805900 1.0 O O74 1 0.97029600 0.86932200 0.82809300 1.0 O O75 1 0.90266900 0.36461000 0.82821800 1.0 O O76 1 0.88518100 0.07334700 0.58845000 1.0 O O77 1 0.95376600 0.64538200 0.95114900 1.0