# generated using pymatgen data_LiMn2(PO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.67033200 _cell_length_b 9.09124644 _cell_length_c 12.55738095 _cell_angle_alpha 105.38065643 _cell_angle_beta 99.58650788 _cell_angle_gamma 104.40854316 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMn2(PO4)2 _chemical_formula_sum 'Li6 Mn12 P12 O48' _cell_volume 895.24007654 _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 0.49576700 0.24555800 0.74577800 1.0 Li Li1 1 0.50000000 0.00000000 0.50000000 1.0 Li Li2 1 0.00695200 0.12946200 0.14736800 1.0 Li Li3 1 0.50423300 0.75444200 0.25422200 1.0 Li Li4 1 0.50000000 0.50000000 0.00000000 1.0 Li Li5 1 0.99304800 0.87053800 0.85263200 1.0 Mn Mn6 1 0.61413500 0.64508100 0.71049300 1.0 Mn Mn7 1 0.26264600 0.24548000 0.50835900 1.0 Mn Mn8 1 0.93214700 0.23668700 0.61713100 1.0 Mn Mn9 1 0.06785300 0.76331300 0.38286900 1.0 Mn Mn10 1 0.38586500 0.35491900 0.28950700 1.0 Mn Mn11 1 0.73735400 0.75452000 0.49164100 1.0 Mn Mn12 1 0.27371900 0.73959200 0.00981700 1.0 Mn Mn13 1 0.62422200 0.14825900 0.21370900 1.0 Mn Mn14 1 0.93666100 0.73657900 0.12141900 1.0 Mn Mn15 1 0.06333900 0.26342100 0.87858100 1.0 Mn Mn16 1 0.72628100 0.26040800 0.99018300 1.0 Mn Mn17 1 0.37577800 0.85174100 0.78629100 1.0 P P18 1 0.12676700 0.99103700 0.64328900 1.0 P P19 1 0.34904900 0.63303000 0.49925600 1.0 P P20 1 0.70888900 0.02050100 0.72937400 1.0 P P21 1 0.65095100 0.36697000 0.50074400 1.0 P P22 1 0.12954600 0.48428300 0.14153100 1.0 P P23 1 0.29111100 0.97949900 0.27062600 1.0 P P24 1 0.71027000 0.52111400 0.22948100 1.0 P P25 1 0.87323300 0.00896300 0.35671100 1.0 P P26 1 0.34053300 0.12660700 0.00079700 1.0 P P27 1 0.28973000 0.47888600 0.77051900 1.0 P P28 1 0.65946700 0.87339300 0.99920300 1.0 P P29 1 0.87045400 0.51571700 0.85846900 1.0 O O30 1 0.03780600 0.11364900 0.69951900 1.0 O O31 1 0.40807200 0.67770700 0.63386900 1.0 O O32 1 0.17048600 0.38323900 0.65158000 1.0 O O33 1 0.16892600 0.90983100 0.73212700 1.0 O O34 1 0.18064200 0.65952700 0.47121300 1.0 O O35 1 0.53667000 0.02145400 0.74550700 1.0 O O36 1 0.27869300 0.08416200 0.61319100 1.0 O O37 1 0.47896000 0.73952200 0.45844600 1.0 O O38 1 0.00079100 0.13409200 0.46445600 1.0 O O39 1 0.67054700 0.54773600 0.55156600 1.0 O O40 1 0.32945300 0.45226400 0.44843400 1.0 O O41 1 0.52104000 0.26047800 0.54155400 1.0 O O42 1 0.72516600 0.09997800 0.63401100 1.0 O O43 1 0.04697600 0.60447700 0.20577300 1.0 O O44 1 0.73693800 0.85361700 0.68529000 1.0 O O45 1 0.81935800 0.34047300 0.52878700 1.0 O O46 1 0.17782300 0.37974900 0.21449800 1.0 O O47 1 0.26306200 0.14638300 0.31471000 1.0 O O48 1 0.82951400 0.61676100 0.34842000 1.0 O O49 1 0.59192800 0.32229300 0.36613100 1.0 O O50 1 0.27483400 0.90002200 0.36598900 1.0 O O51 1 0.53410300 0.52026600 0.24489600 1.0 O O52 1 0.27977800 0.58012800 0.11131000 1.0 O O53 1 0.00443700 0.63824300 0.96458300 1.0 O O54 1 0.99920900 0.86590800 0.53554400 1.0 O O55 1 0.72130700 0.91583800 0.38680900 1.0 O O56 1 0.46333000 0.97854600 0.25449300 1.0 O O57 1 0.72584600 0.60209500 0.13428800 1.0 O O58 1 0.39730500 0.17710000 0.13266000 1.0 O O59 1 0.16793900 0.88501900 0.15148700 1.0 O O60 1 0.73155700 0.35527400 0.18070000 1.0 O O61 1 0.83107400 0.09016900 0.26787300 1.0 O O62 1 0.16106500 0.13601000 0.96527700 1.0 O O63 1 0.26844300 0.64472600 0.81930000 1.0 O O64 1 0.96219400 0.88635100 0.30048100 1.0 O O65 1 0.27415400 0.39790500 0.86571200 1.0 O O66 1 0.46389700 0.23417800 0.95622700 1.0 O O67 1 0.67556200 0.05439400 0.04853900 1.0 O O68 1 0.32443800 0.94560600 0.95146100 1.0 O O69 1 0.99556300 0.36175700 0.03541700 1.0 O O70 1 0.53610300 0.76582200 0.04377300 1.0 O O71 1 0.72022200 0.41987200 0.88869000 1.0 O O72 1 0.46589700 0.47973400 0.75510400 1.0 O O73 1 0.83893500 0.86399000 0.03472300 1.0 O O74 1 0.82217700 0.62025100 0.78550200 1.0 O O75 1 0.83206100 0.11498100 0.84851300 1.0 O O76 1 0.60269500 0.82290000 0.86734000 1.0 O O77 1 0.95302400 0.39552300 0.79422700 1.0