# generated using pymatgen data_Na2FeCuF7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.32541288 _cell_length_b 7.32541288 _cell_length_c 24.93337554 _cell_angle_alpha 82.18498958 _cell_angle_beta 82.18498958 _cell_angle_gamma 60.96011611 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2FeCuF7 _chemical_formula_sum 'Na16 Fe8 Cu8 F56' _cell_volume 1155.10824411 _cell_formula_units_Z 8 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 0.21744500 0.28973600 0.24701600 1.0 Na Na1 1 0.12054600 0.13248400 0.62300100 1.0 Na Na2 1 0.13248400 0.12054600 0.12300100 1.0 Na Na3 1 0.50000000 0.50000000 0.50000000 1.0 Na Na4 1 0.00000000 0.00000000 0.00000000 1.0 Na Na5 1 0.77903100 0.22096900 0.75000000 1.0 Na Na6 1 0.87945400 0.86751600 0.37699900 1.0 Na Na7 1 0.22096900 0.77903100 0.25000000 1.0 Na Na8 1 0.86751600 0.87945400 0.87699900 1.0 Na Na9 1 0.28973600 0.21744500 0.74701600 1.0 Na Na10 1 0.00000000 0.50000000 0.00000000 1.0 Na Na11 1 0.50000000 0.50000000 0.00000000 1.0 Na Na12 1 0.71026400 0.78255500 0.25298400 1.0 Na Na13 1 0.78255500 0.71026400 0.75298400 1.0 Na Na14 1 0.00000000 0.00000000 0.50000000 1.0 Na Na15 1 0.50000000 0.00000000 0.50000000 1.0 Fe Fe16 1 0.36442700 0.88887700 0.37461600 1.0 Fe Fe17 1 0.25019700 0.74980300 0.75000000 1.0 Fe Fe18 1 0.74980300 0.25019700 0.25000000 1.0 Fe Fe19 1 0.50000000 0.00000000 0.00000000 1.0 Fe Fe20 1 0.00000000 0.50000000 0.50000000 1.0 Fe Fe21 1 0.11112300 0.63557300 0.12538400 1.0 Fe Fe22 1 0.88887700 0.36442700 0.87461600 1.0 Fe Fe23 1 0.63557300 0.11112300 0.62538400 1.0 Cu Cu24 1 0.13367100 0.61448000 0.62567500 1.0 Cu Cu25 1 0.63142700 0.61393600 0.62738400 1.0 Cu Cu26 1 0.61448000 0.13367100 0.12567500 1.0 Cu Cu27 1 0.38606400 0.36857300 0.87261600 1.0 Cu Cu28 1 0.36857300 0.38606400 0.37261600 1.0 Cu Cu29 1 0.38552000 0.86632900 0.87432500 1.0 Cu Cu30 1 0.86632900 0.38552000 0.37432500 1.0 Cu Cu31 1 0.61393600 0.63142700 0.12738400 1.0 F F32 1 0.30737300 0.72800400 0.14197300 1.0 F F33 1 0.36370600 0.46662300 0.78839600 1.0 F F34 1 0.13731300 0.63286300 0.70519300 1.0 F F35 1 0.46662300 0.36370600 0.28839600 1.0 F F36 1 0.86819100 0.79384700 0.46724700 1.0 F F37 1 0.68040800 0.36219100 0.10287300 1.0 F F38 1 0.26337200 0.41924100 0.45571300 1.0 F F39 1 0.63629400 0.53337700 0.21160400 1.0 F F40 1 0.36274500 0.96426200 0.29521100 1.0 F F41 1 0.63654500 0.18196400 0.54568000 1.0 F F42 1 0.14066000 0.02636600 0.71008100 1.0 F F43 1 0.63725500 0.03573800 0.70478900 1.0 F F44 1 0.53971900 0.91715600 0.61020700 1.0 F F45 1 0.03573800 0.63725500 0.20478900 1.0 F F46 1 0.13180900 0.20615300 0.53275300 1.0 F F47 1 0.53337700 0.63629400 0.71160400 1.0 F F48 1 0.20615300 0.13180900 0.03275300 1.0 F F49 1 0.66486100 0.70480100 0.36035200 1.0 F F50 1 0.33513900 0.29519900 0.63964800 1.0 F F51 1 0.63286300 0.13731300 0.20519300 1.0 F F52 1 0.90797900 0.54227600 0.64889200 1.0 F F53 1 0.72800400 0.30737300 0.64197300 1.0 F F54 1 0.81803600 0.36345500 0.95432000 1.0 F F55 1 0.09202100 0.45772400 0.35110800 1.0 F F56 1 0.36219100 0.68040800 0.60287300 1.0 F F57 1 0.93652900 0.93247800 0.61042100 1.0 F F58 1 0.63780900 0.31959200 0.39712700 1.0 F F59 1 0.41924100 0.26337200 0.95571300 1.0 F F60 1 0.73662800 0.58075900 0.54428700 1.0 F F61 1 0.54227600 0.90797900 0.14889200 1.0 F F62 1 0.86268700 0.36713700 0.29480700 1.0 F F63 1 0.91715600 0.53971900 0.11020700 1.0 F F64 1 0.13199300 0.59289500 0.54599900 1.0 F F65 1 0.96426200 0.36274500 0.79521100 1.0 F F66 1 0.70480100 0.66486100 0.86035200 1.0 F F67 1 0.97363400 0.85934000 0.78991900 1.0 F F68 1 0.02636600 0.14066000 0.21008100 1.0 F F69 1 0.27199600 0.69262700 0.35802700 1.0 F F70 1 0.85934000 0.97363400 0.28991900 1.0 F F71 1 0.31959200 0.63780900 0.89712700 1.0 F F72 1 0.40710500 0.86800700 0.95400100 1.0 F F73 1 0.06347100 0.06752200 0.38957900 1.0 F F74 1 0.36345500 0.81803600 0.45432000 1.0 F F75 1 0.69262700 0.27199600 0.85802700 1.0 F F76 1 0.93247800 0.93652900 0.11042100 1.0 F F77 1 0.36713700 0.86268700 0.79480700 1.0 F F78 1 0.58075900 0.73662800 0.04428700 1.0 F F79 1 0.45772400 0.09202100 0.85110800 1.0 F F80 1 0.59289500 0.13199300 0.04599900 1.0 F F81 1 0.86800700 0.40710500 0.45400100 1.0 F F82 1 0.29519900 0.33513900 0.13964800 1.0 F F83 1 0.79384700 0.86819100 0.96724700 1.0 F F84 1 0.08284400 0.46028100 0.88979300 1.0 F F85 1 0.46028100 0.08284400 0.38979300 1.0 F F86 1 0.06752200 0.06347100 0.88957900 1.0 F F87 1 0.18196400 0.63654500 0.04568000 1.0