# generated using pymatgen data_Li4Ti2Mn4(FeO6)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.93696800 _cell_length_b 9.11207300 _cell_length_c 25.07677400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li4Ti2Mn4(FeO6)3 _chemical_formula_sum 'Li8 Ti4 Mn8 Fe6 O36' _cell_volume 671.10128593 _cell_formula_units_Z 2 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 0.00000000 0.17786300 0.99644400 1.0 Li Li1 1 0.00000000 0.18717700 0.20218400 1.0 Li Li2 1 0.00000000 0.31282300 0.70218400 1.0 Li Li3 1 0.00000000 0.32213700 0.49644400 1.0 Li Li4 1 0.00000000 0.67786300 0.50355600 1.0 Li Li5 1 0.00000000 0.68717700 0.29781600 1.0 Li Li6 1 0.00000000 0.81282300 0.79781600 1.0 Li Li7 1 0.00000000 0.82213700 0.00355600 1.0 Ti Ti8 1 0.00000000 0.99629800 0.10575500 1.0 Ti Ti9 1 0.00000000 0.50370200 0.60575500 1.0 Ti Ti10 1 0.00000000 0.49629800 0.39424500 1.0 Ti Ti11 1 0.00000000 0.00370200 0.89424500 1.0 Mn Mn12 1 0.00000000 0.00809700 0.31120700 1.0 Mn Mn13 1 0.50000000 0.14684200 0.58629800 1.0 Mn Mn14 1 0.50000000 0.35315800 0.08629800 1.0 Mn Mn15 1 0.00000000 0.49190300 0.81120700 1.0 Mn Mn16 1 0.00000000 0.50809700 0.18879300 1.0 Mn Mn17 1 0.50000000 0.64684200 0.91370200 1.0 Mn Mn18 1 0.50000000 0.85315800 0.41370200 1.0 Mn Mn19 1 0.00000000 0.99190300 0.68879300 1.0 Fe Fe20 1 0.00000000 0.00000000 0.50000000 1.0 Fe Fe21 1 0.50000000 0.15356500 0.80432600 1.0 Fe Fe22 1 0.50000000 0.34643500 0.30432600 1.0 Fe Fe23 1 0.00000000 0.50000000 0.00000000 1.0 Fe Fe24 1 0.50000000 0.65356500 0.69567400 1.0 Fe Fe25 1 0.50000000 0.84643500 0.19567400 1.0 O O26 1 0.00000000 0.99303900 0.41934700 1.0 O O27 1 0.00000000 0.00696100 0.58065300 1.0 O O28 1 0.50000000 0.04212400 0.94230500 1.0 O O29 1 0.50000000 0.05269500 0.16051500 1.0 O O30 1 0.50000000 0.11627500 0.66169600 1.0 O O31 1 0.00000000 0.12494800 0.75292900 1.0 O O32 1 0.50000000 0.15461700 0.50779400 1.0 O O33 1 0.50000000 0.12906300 0.28555900 1.0 O O34 1 0.00000000 0.18594700 0.85803200 1.0 O O35 1 0.00000000 0.21511000 0.08624600 1.0 O O36 1 0.00000000 0.28489000 0.58624600 1.0 O O37 1 0.00000000 0.31405300 0.35803200 1.0 O O38 1 0.50000000 0.37093700 0.78555900 1.0 O O39 1 0.50000000 0.34538300 0.00779400 1.0 O O40 1 0.00000000 0.37505200 0.25292900 1.0 O O41 1 0.50000000 0.38372500 0.16169600 1.0 O O42 1 0.50000000 0.44730500 0.66051500 1.0 O O43 1 0.50000000 0.45787600 0.44230500 1.0 O O44 1 0.00000000 0.49303900 0.08065300 1.0 O O45 1 0.00000000 0.50696100 0.91934700 1.0 O O46 1 0.50000000 0.54212400 0.55769500 1.0 O O47 1 0.50000000 0.55269500 0.33948500 1.0 O O48 1 0.50000000 0.61627500 0.83830400 1.0 O O49 1 0.00000000 0.62494800 0.74707100 1.0 O O50 1 0.50000000 0.65461700 0.99220600 1.0 O O51 1 0.50000000 0.62906300 0.21444100 1.0 O O52 1 0.00000000 0.68594700 0.64196800 1.0 O O53 1 0.00000000 0.71511000 0.41375400 1.0 O O54 1 0.00000000 0.78489000 0.91375400 1.0 O O55 1 0.00000000 0.81405300 0.14196800 1.0 O O56 1 0.50000000 0.87093700 0.71444100 1.0 O O57 1 0.50000000 0.84538300 0.49220600 1.0 O O58 1 0.00000000 0.87505200 0.24707100 1.0 O O59 1 0.50000000 0.88372500 0.33830400 1.0 O O60 1 0.50000000 0.94730500 0.83948500 1.0 O O61 1 0.50000000 0.95787600 0.05769500 1.0