# generated using pymatgen data_Li2Zr7Fe(PO4)12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.98493100 _cell_length_b 9.07593975 _cell_length_c 12.54641670 _cell_angle_alpha 90.11687115 _cell_angle_beta 90.01758638 _cell_angle_gamma 90.04463243 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Zr7Fe(PO4)12 _chemical_formula_sum 'Li2 Zr7 Fe1 P12 O48' _cell_volume 1023.11629623 _cell_formula_units_Z 1 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 0.78400200 0.77706800 0.81923800 1.0 Li Li1 1 0.78048100 0.72078800 0.18805500 1.0 Zr Zr2 1 0.25166500 0.46706800 0.62053600 1.0 Zr Zr3 1 0.25217400 0.03749900 0.37682400 1.0 Zr Zr4 1 0.25180500 0.96459800 0.88159000 1.0 Zr Zr5 1 0.25125700 0.53476200 0.12009600 1.0 Zr Zr6 1 0.74753800 0.45324400 0.88316200 1.0 Zr Zr7 1 0.74718500 0.04581400 0.12229500 1.0 Zr Zr8 1 0.74827800 0.97234600 0.61288000 1.0 Fe Fe9 1 0.74883000 0.53599900 0.38581100 1.0 P P10 1 0.03226300 0.75062900 0.49385700 1.0 P P11 1 0.10338300 0.60895100 0.85721600 1.0 P P12 1 0.10359500 0.89051600 0.14411100 1.0 P P13 1 0.40379900 0.39328800 0.35782400 1.0 P P14 1 0.38780800 0.10608000 0.64311400 1.0 P P15 1 0.45805300 0.24956900 0.00125700 1.0 P P16 1 0.54267700 0.74939700 0.99976200 1.0 P P17 1 0.60513400 0.88174100 0.35433800 1.0 P P18 1 0.61663300 0.60659800 0.64464500 1.0 P P19 1 0.88758900 0.40115300 0.15088900 1.0 P P20 1 0.89249000 0.10128500 0.85742900 1.0 P P21 1 0.96364400 0.25694000 0.49389200 1.0 O O22 1 0.06074500 0.35211200 0.56839400 1.0 O O23 1 0.06389300 0.16144200 0.42267800 1.0 O O24 1 0.06153000 0.08904800 0.84804400 1.0 O O25 1 0.05767000 0.41727100 0.15955700 1.0 O O26 1 0.13039700 0.85132700 0.42553400 1.0 O O27 1 0.13084000 0.64887500 0.56156200 1.0 O O28 1 0.15518100 0.56205300 0.96862500 1.0 O O29 1 0.15497800 0.93538500 0.03228000 1.0 O O30 1 0.15144300 0.76829200 0.83338900 1.0 O O31 1 0.15617900 0.73294100 0.16915300 1.0 O O32 1 0.17078400 0.50488500 0.77250900 1.0 O O33 1 0.16915300 0.00097700 0.22527000 1.0 O O34 1 0.32103400 0.00099600 0.72610000 1.0 O O35 1 0.33646600 0.49617000 0.27315400 1.0 O O36 1 0.36240100 0.23107900 0.33549000 1.0 O O37 1 0.34474400 0.26753700 0.66633100 1.0 O O38 1 0.34510300 0.43736700 0.46826800 1.0 O O39 1 0.33143400 0.06256400 0.53191100 1.0 O O40 1 0.36112000 0.15565000 0.92755500 1.0 O O41 1 0.35745000 0.34199700 0.07360900 1.0 O O42 1 0.43534700 0.89942400 0.34745800 1.0 O O43 1 0.44497000 0.59524000 0.64899100 1.0 O O44 1 0.44585400 0.85484000 0.93376700 1.0 O O45 1 0.44475100 0.64376800 0.06490600 1.0 O O46 1 0.55703000 0.35022700 0.93181300 1.0 O O47 1 0.55788800 0.15068300 0.07169000 1.0 O O48 1 0.57498800 0.40926400 0.35387600 1.0 O O49 1 0.55926700 0.09107800 0.64825500 1.0 O O50 1 0.64585800 0.66433400 0.92090500 1.0 O O51 1 0.64755700 0.83408100 0.07746700 1.0 O O52 1 0.65741000 0.92160500 0.46811200 1.0 O O53 1 0.67181000 0.57262200 0.53212800 1.0 O O54 1 0.66763700 0.76471500 0.67878800 1.0 O O55 1 0.65561400 0.72385400 0.32479200 1.0 O O56 1 0.68104400 0.49781500 0.72742000 1.0 O O57 1 0.67933100 0.98859000 0.27425700 1.0 O O58 1 0.82066000 0.98961900 0.77707400 1.0 O O59 1 0.81602100 0.51329400 0.22919000 1.0 O O60 1 0.84440000 0.26017300 0.83116000 1.0 O O61 1 0.84255500 0.24018200 0.17551100 1.0 O O62 1 0.83298300 0.44024700 0.03747200 1.0 O O63 1 0.83844300 0.06121700 0.97027000 1.0 O O64 1 0.86540700 0.35723300 0.42484000 1.0 O O65 1 0.86242800 0.15663100 0.56250600 1.0 O O66 1 0.93074600 0.89401000 0.15260400 1.0 O O67 1 0.93039900 0.60246500 0.84962900 1.0 O O68 1 0.93456500 0.84521200 0.56788300 1.0 O O69 1 0.93504200 0.65427300 0.41900500 1.0