# generated using pymatgen data_Li2Zr7Fe(PO4)12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.00242300 _cell_length_b 9.05131764 _cell_length_c 12.57774979 _cell_angle_alpha 90.10172652 _cell_angle_beta 90.06433947 _cell_angle_gamma 90.08786187 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Zr7Fe(PO4)12 _chemical_formula_sum 'Li2 Zr7 Fe1 P12 O48' _cell_volume 1024.87925465 _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 0.28504800 0.77251100 0.32328700 1.0 Li Li1 1 0.21583200 0.28075100 0.18604700 1.0 Zr Zr2 1 0.75186800 0.53631900 0.61849000 1.0 Zr Zr3 1 0.74895600 0.03614800 0.88143600 1.0 Zr Zr4 1 0.74953700 0.96495600 0.37729800 1.0 Zr Zr5 1 0.75153200 0.46796500 0.12278300 1.0 Zr Zr6 1 0.25032800 0.53473900 0.87893100 1.0 Zr Zr7 1 0.25256000 0.95900600 0.11384400 1.0 Zr Zr8 1 0.24994100 0.03427100 0.62146900 1.0 Fe Fe9 1 0.24857700 0.46016200 0.38765000 1.0 P P10 1 0.96715600 0.25283300 0.49563300 1.0 P P11 1 0.89825000 0.10991300 0.14408600 1.0 P P12 1 0.89014100 0.39528300 0.85778300 1.0 P P13 1 0.61034800 0.89531300 0.64241400 1.0 P P14 1 0.59478500 0.60808300 0.35695800 1.0 P P15 1 0.53943000 0.75004500 0.99853200 1.0 P P16 1 0.46119100 0.25099300 0.00334900 1.0 P P17 1 0.38845500 0.10710900 0.35485600 1.0 P P18 1 0.38876200 0.39548500 0.64058800 1.0 P P19 1 0.10424300 0.89162100 0.85520300 1.0 P P20 1 0.11604200 0.59914000 0.15164800 1.0 P P21 1 0.03938500 0.74627100 0.49484600 1.0 O O22 1 0.94454300 0.64479700 0.56519600 1.0 O O23 1 0.93868800 0.84253100 0.42328900 1.0 O O24 1 0.93529200 0.90819400 0.84645600 1.0 O O25 1 0.94511200 0.59057700 0.15891800 1.0 O O26 1 0.86658500 0.34862500 0.56634300 1.0 O O27 1 0.83790600 0.43980100 0.96957400 1.0 O O28 1 0.84647200 0.06443200 0.03245500 1.0 O O29 1 0.87019200 0.15263200 0.42490000 1.0 O O30 1 0.84583900 0.23398300 0.83443300 1.0 O O31 1 0.85070900 0.27004200 0.16858400 1.0 O O32 1 0.81962700 0.49783800 0.77364700 1.0 O O33 1 0.83143100 0.00182800 0.22570200 1.0 O O34 1 0.67752100 0.00091300 0.72587600 1.0 O O35 1 0.66214600 0.50230400 0.27384500 1.0 O O36 1 0.63808100 0.77045200 0.33322600 1.0 O O37 1 0.65488800 0.73426800 0.66543600 1.0 O O38 1 0.65322700 0.56405100 0.46728800 1.0 O O39 1 0.63985600 0.84326000 0.92714900 1.0 O O40 1 0.66527400 0.93939700 0.53112300 1.0 O O41 1 0.63656000 0.65488600 0.07195000 1.0 O O42 1 0.55899500 0.09607900 0.34678300 1.0 O O43 1 0.55955000 0.41080200 0.64618200 1.0 O O44 1 0.55489800 0.14414800 0.93672800 1.0 O O45 1 0.56178900 0.34960900 0.07288900 1.0 O O46 1 0.43917700 0.65246500 0.92827500 1.0 O O47 1 0.44162400 0.85108600 0.06934100 1.0 O O48 1 0.42251400 0.59796900 0.35148200 1.0 O O49 1 0.43960000 0.90883500 0.64829300 1.0 O O50 1 0.36481800 0.34643900 0.92925500 1.0 O O51 1 0.33509900 0.43401200 0.52851300 1.0 O O52 1 0.33725500 0.06747700 0.46739900 1.0 O O53 1 0.35375500 0.16623300 0.07970200 1.0 O O54 1 0.33287400 0.26271700 0.32302700 1.0 O O55 1 0.34644400 0.23445000 0.66663300 1.0 O O56 1 0.31906900 0.50152200 0.72285900 1.0 O O57 1 0.31957500 0.98908100 0.27714100 1.0 O O58 1 0.17868100 0.99786500 0.77603200 1.0 O O59 1 0.18355100 0.48639700 0.23107400 1.0 O O60 1 0.14874500 0.73062200 0.83260100 1.0 O O61 1 0.16895200 0.75857900 0.18290800 1.0 O O62 1 0.15692900 0.93164800 0.96944100 1.0 O O63 1 0.16943800 0.56113300 0.03891000 1.0 O O64 1 0.14687500 0.65927200 0.42153400 1.0 O O65 1 0.13613200 0.84628400 0.56654600 1.0 O O66 1 0.06059900 0.41038200 0.85066900 1.0 O O67 1 0.07126700 0.10472300 0.15279900 1.0 O O68 1 0.06530500 0.15683200 0.56903500 1.0 O O69 1 0.06411900 0.35068400 0.42416400 1.0