# generated using pymatgen data_NaLi5Fe2P2(CO7)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.60702300 _cell_length_b 8.59036273 _cell_length_c 9.98231544 _cell_angle_alpha 87.74375008 _cell_angle_beta 89.61805268 _cell_angle_gamma 89.59019224 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLi5Fe2P2(CO7)2 _chemical_formula_sum 'Na2 Li10 Fe4 P4 C4 O28' _cell_volume 566.09825638 _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 Na Na0 1 0.74671200 0.08468500 0.87673100 1.0 Na Na1 1 0.00263800 0.25129200 0.12413200 1.0 Li Li2 1 0.73871400 0.08772300 0.37654000 1.0 Li Li3 1 0.98119900 0.26986000 0.61088900 1.0 Li Li4 1 0.52293300 0.27137600 0.61493500 1.0 Li Li5 1 0.51730200 0.27256500 0.11584400 1.0 Li Li6 1 0.47840300 0.72901300 0.88807100 1.0 Li Li7 1 0.02283500 0.72769500 0.88795600 1.0 Li Li8 1 0.48612300 0.73416700 0.38585200 1.0 Li Li9 1 0.01289800 0.73487300 0.38446400 1.0 Li Li10 1 0.25060600 0.90647600 0.62516500 1.0 Li Li11 1 0.26095800 0.90600600 0.12744700 1.0 Fe Fe12 1 0.25454600 0.35360300 0.88441600 1.0 Fe Fe13 1 0.25024600 0.34778500 0.39280600 1.0 Fe Fe14 1 0.74850400 0.65610600 0.61321300 1.0 Fe Fe15 1 0.74999500 0.64777000 0.11199600 1.0 P P16 1 0.75053600 0.41795500 0.84958700 1.0 P P17 1 0.74438300 0.41080700 0.35603600 1.0 P P18 1 0.24952300 0.59325800 0.64483600 1.0 P P19 1 0.25399900 0.59091600 0.14545900 1.0 C C20 1 0.25156200 0.04176200 0.86400300 1.0 C C21 1 0.25316700 0.04084200 0.36499600 1.0 C C22 1 0.75007200 0.96116900 0.62754200 1.0 C C23 1 0.74114300 0.94488500 0.14599400 1.0 O O24 1 0.75369900 0.10998400 0.64408400 1.0 O O25 1 0.72266500 0.09295800 0.16470400 1.0 O O26 1 0.24876700 0.08152000 0.98808800 1.0 O O27 1 0.25010100 0.08338100 0.48821400 1.0 O O28 1 0.25768400 0.15024100 0.76883700 1.0 O O29 1 0.25970500 0.14758500 0.26846000 1.0 O O30 1 0.94024300 0.32458800 0.89530800 1.0 O O31 1 0.56842600 0.32273700 0.90665800 1.0 O O32 1 0.93473200 0.31203900 0.39649300 1.0 O O33 1 0.56457800 0.31175800 0.41236600 1.0 O O34 1 0.74266900 0.42630800 0.69236700 1.0 O O35 1 0.25015400 0.42361300 0.59547000 1.0 O O36 1 0.73010900 0.42566800 0.19952700 1.0 O O37 1 0.26982600 0.42560000 0.08914100 1.0 O O38 1 0.74925000 0.58754900 0.89888300 1.0 O O39 1 0.24972400 0.58232900 0.80202100 1.0 O O40 1 0.74866800 0.57687000 0.41024900 1.0 O O41 1 0.24685500 0.57471300 0.30215000 1.0 O O42 1 0.43271700 0.69077900 0.59279100 1.0 O O43 1 0.06430300 0.68979900 0.59365500 1.0 O O44 1 0.43325700 0.69628200 0.09803400 1.0 O O45 1 0.06577200 0.68238100 0.09231500 1.0 O O46 1 0.74855000 0.86334400 0.73078900 1.0 O O47 1 0.75268500 0.84658800 0.24783900 1.0 O O48 1 0.74772400 0.90676100 0.50841100 1.0 O O49 1 0.74895300 0.89032200 0.02662700 1.0 O O50 1 0.24897400 0.89659700 0.83247300 1.0 O O51 1 0.25021400 0.89512100 0.33513600 1.0