# generated using pymatgen data_Li3Fe3P8O29 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.01200963 _cell_length_b 10.01200963 _cell_length_c 14.17934350 _cell_angle_alpha 88.29604189 _cell_angle_beta 88.29604189 _cell_angle_gamma 59.56883448 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3Fe3P8O29 _chemical_formula_sum 'Li6 Fe6 P16 O58' _cell_volume 1224.81614442 _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 0.00000000 0.00000000 1.0 Li Li1 1 0.00000000 0.00000000 0.50000000 1.0 Li Li2 1 0.22601500 0.09197400 0.43194600 1.0 Li Li3 1 0.09197400 0.22601500 0.93194600 1.0 Li Li4 1 0.77398500 0.90802600 0.56805400 1.0 Li Li5 1 0.90802600 0.77398500 0.06805400 1.0 Fe Fe6 1 0.00132800 0.44036000 0.74846400 1.0 Fe Fe7 1 0.55964000 0.99867200 0.75153600 1.0 Fe Fe8 1 0.43967300 0.56032700 0.75000000 1.0 Fe Fe9 1 0.56032700 0.43967300 0.25000000 1.0 Fe Fe10 1 0.99867200 0.55964000 0.25153600 1.0 Fe Fe11 1 0.44036000 0.00132800 0.24846400 1.0 P P12 1 0.32948200 0.33183600 0.36166500 1.0 P P13 1 0.22771700 0.09337800 0.65592700 1.0 P P14 1 0.77980600 0.30377200 0.83997300 1.0 P P15 1 0.77228300 0.90662200 0.34407300 1.0 P P16 1 0.09153700 0.69444900 0.66504500 1.0 P P17 1 0.30377200 0.77980600 0.33997300 1.0 P P18 1 0.69622800 0.22019400 0.66002700 1.0 P P19 1 0.30555100 0.90846300 0.83495500 1.0 P P20 1 0.66816400 0.67051800 0.13833500 1.0 P P21 1 0.69444900 0.09153700 0.16504500 1.0 P P22 1 0.22019400 0.69622800 0.16002700 1.0 P P23 1 0.67051800 0.66816400 0.63833500 1.0 P P24 1 0.33183600 0.32948200 0.86166500 1.0 P P25 1 0.09337800 0.22771700 0.15592700 1.0 P P26 1 0.90846300 0.30555100 0.33495500 1.0 P P27 1 0.90662200 0.77228300 0.84407300 1.0 O O28 1 0.45507200 0.91448700 0.83079100 1.0 O O29 1 0.51651500 0.68335300 0.67502900 1.0 O O30 1 0.79075900 0.96426700 0.43732700 1.0 O O31 1 0.66842900 0.65865000 0.52908900 1.0 O O32 1 0.66449600 0.08314700 0.66359100 1.0 O O33 1 0.18659100 0.31961700 0.83771100 1.0 O O34 1 0.08858800 0.25799800 0.66689300 1.0 O O35 1 0.08551300 0.54492800 0.66920900 1.0 O O36 1 0.21273100 0.98650300 0.73697000 1.0 O O37 1 0.03573300 0.20924100 0.06267300 1.0 O O38 1 0.25799800 0.08858800 0.16689300 1.0 O O39 1 0.37828900 0.55082100 0.16373500 1.0 O O40 1 0.68038300 0.81340900 0.66228900 1.0 O O41 1 0.99976600 0.19344800 0.41333800 1.0 O O42 1 0.80000300 0.18317300 0.57228600 1.0 O O43 1 0.62171100 0.44917900 0.83626500 1.0 O O44 1 0.65865000 0.66842900 0.02908900 1.0 O O45 1 0.68335300 0.51651500 0.17502900 1.0 O O46 1 0.25862000 0.66044700 0.66397800 1.0 O O47 1 0.81682700 0.19999700 0.92771400 1.0 O O48 1 0.54492800 0.08551300 0.16920900 1.0 O O49 1 0.19900900 0.80099100 0.25000000 1.0 O O50 1 0.08675900 0.38303100 0.16570900 1.0 O O51 1 0.80099100 0.19900900 0.75000000 1.0 O O52 1 0.80655200 0.00023400 0.08666200 1.0 O O53 1 0.81078700 0.51739900 0.67275200 1.0 O O54 1 0.91448700 0.45507200 0.33079100 1.0 O O55 1 0.19999700 0.81682700 0.42771400 1.0 O O56 1 0.51739900 0.81078700 0.17275200 1.0 O O57 1 0.74200200 0.91141200 0.83310700 1.0 O O58 1 0.44917900 0.62171100 0.33626500 1.0 O O59 1 0.48348500 0.31664700 0.32497100 1.0 O O60 1 0.31961700 0.18659100 0.33771100 1.0 O O61 1 0.78726900 0.01349700 0.26303000 1.0 O O62 1 0.91685300 0.33550400 0.83640900 1.0 O O63 1 0.38303100 0.08675900 0.66570900 1.0 O O64 1 0.81340900 0.68038300 0.16228900 1.0 O O65 1 0.19344800 0.99976600 0.91333800 1.0 O O66 1 0.55082100 0.37828900 0.66373500 1.0 O O67 1 0.18317300 0.80000300 0.07228600 1.0 O O68 1 0.33157100 0.34135000 0.47091100 1.0 O O69 1 0.34135000 0.33157100 0.97091100 1.0 O O70 1 0.91324100 0.61696900 0.83429100 1.0 O O71 1 0.20924100 0.03573300 0.56267300 1.0 O O72 1 0.66044700 0.25862000 0.16397800 1.0 O O73 1 0.08314700 0.66449600 0.16359100 1.0 O O74 1 0.48260100 0.18921300 0.82724800 1.0 O O75 1 0.33550400 0.91685300 0.33640900 1.0 O O76 1 0.74138000 0.33955300 0.33602200 1.0 O O77 1 0.00023400 0.80655200 0.58666200 1.0 O O78 1 0.18921300 0.48260100 0.32724800 1.0 O O79 1 0.98650300 0.21273100 0.23697000 1.0 O O80 1 0.91141200 0.74200200 0.33310700 1.0 O O81 1 0.31664700 0.48348500 0.82497100 1.0 O O82 1 0.01349700 0.78726900 0.76303000 1.0 O O83 1 0.33955300 0.74138000 0.83602200 1.0 O O84 1 0.96426700 0.79075900 0.93732700 1.0 O O85 1 0.61696900 0.91324100 0.33429100 1.0