# generated using pymatgen data_LiMn2P2(O4F)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07142300 _cell_length_b 12.80474539 _cell_length_c 12.83628942 _cell_angle_alpha 60.30821803 _cell_angle_beta 89.88645543 _cell_angle_gamma 89.88818033 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMn2P2(O4F)2 _chemical_formula_sum 'Li4 Mn8 P8 O32 F8' _cell_volume 724.11953968 _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 0.77467600 0.57423000 0.32862100 1.0 Li Li1 1 0.27275100 0.17671500 0.42253000 1.0 Li Li2 1 0.75935300 0.34191000 0.07690600 1.0 Li Li3 1 0.26078500 0.17002800 0.16098700 1.0 Mn Mn4 1 0.73972300 0.81583200 0.11723900 1.0 Mn Mn5 1 0.77959100 0.31241500 0.62203200 1.0 Mn Mn6 1 0.21731000 0.39614000 0.18062800 1.0 Mn Mn7 1 0.72112600 0.10095900 0.32178000 1.0 Mn Mn8 1 0.28208700 0.88133300 0.68638600 1.0 Mn Mn9 1 0.78002000 0.62542500 0.81060700 1.0 Mn Mn10 1 0.23324600 0.68604000 0.38319200 1.0 Mn Mn11 1 0.27473000 0.19038200 0.87712300 1.0 P P12 1 0.27649000 0.41493500 0.43110000 1.0 P P13 1 0.71629200 0.58143000 0.07788100 1.0 P P14 1 0.23629500 0.91305500 0.93191500 1.0 P P15 1 0.77711500 0.06921900 0.58725400 1.0 P P16 1 0.22123700 0.91834700 0.42069800 1.0 P P17 1 0.77400900 0.09138800 0.06394600 1.0 P P18 1 0.27308100 0.42711600 0.91677000 1.0 P P19 1 0.72764600 0.58615500 0.57160600 1.0 O O20 1 0.40744400 0.83111600 0.04230900 1.0 O O21 1 0.78897900 0.65551100 0.13996300 1.0 O O22 1 0.15886900 0.54499000 0.36599300 1.0 O O23 1 0.57307300 0.41893900 0.45435600 1.0 O O24 1 0.12427900 0.33252500 0.54540100 1.0 O O25 1 0.42274600 0.54898800 0.09210000 1.0 O O26 1 0.86683500 0.45954000 0.15041200 1.0 O O27 1 0.23332700 0.36105000 0.34639900 1.0 O O28 1 0.73804700 0.16054000 0.62907900 1.0 O O29 1 0.32355300 0.04515100 0.87254800 1.0 O O30 1 0.94304400 0.89902100 0.97413100 1.0 O O31 1 0.67102300 0.12984400 0.45537900 1.0 O O32 1 0.07801900 0.03595800 0.58838600 1.0 O O33 1 0.16173300 0.35545200 0.05047800 1.0 O O34 1 0.61539300 0.95718500 0.66784300 1.0 O O35 1 0.25262600 0.86976600 0.84062900 1.0 O O36 1 0.71467300 0.14050600 0.15178500 1.0 O O37 1 0.36747800 0.04069400 0.33741400 1.0 O O38 1 0.80840400 0.64908400 0.94731700 1.0 O O39 1 0.92898400 0.94638800 0.40786300 1.0 O O40 1 0.33115500 0.86330100 0.54919400 1.0 O O41 1 0.07579000 0.11329900 0.03293600 1.0 O O42 1 0.69764700 0.95766900 0.12981400 1.0 O O43 1 0.30476000 0.83580000 0.37038900 1.0 O O44 1 0.75445700 0.63446800 0.65774300 1.0 O O45 1 0.11541600 0.54223900 0.84412800 1.0 O O46 1 0.56699800 0.45399300 0.92252000 1.0 O O47 1 0.89328200 0.66365500 0.45636800 1.0 O O48 1 0.43514400 0.59728600 0.52805800 1.0 O O49 1 0.81355700 0.45339400 0.63546700 1.0 O O50 1 0.22122300 0.34407600 0.86399200 1.0 O O51 1 0.60676500 0.17060000 0.95357000 1.0 F F52 1 0.53719800 0.71413500 0.27907300 1.0 F F53 1 0.97275300 0.21681900 0.78789300 1.0 F F54 1 0.50553200 0.28273200 0.21987500 1.0 F F55 1 0.02080300 0.20885000 0.27480000 1.0 F F56 1 0.98083100 0.79107900 0.72024000 1.0 F F57 1 0.46914300 0.72748200 0.76894300 1.0 F F58 1 0.03326900 0.77406800 0.22623300 1.0 F F59 1 0.46501300 0.27142400 0.72757600 1.0