# generated using pymatgen data_Na5Fe2P2(CO7)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.59535300 _cell_length_b 5.25901100 _cell_length_c 18.02590590 _cell_angle_alpha 89.48971297 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na5Fe2P2(CO7)2 _chemical_formula_sum 'Na10 Fe4 P4 C4 O28' _cell_volume 625.20436226 _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 0.51698700 0.76808300 0.04366700 1.0 Na Na1 1 0.26792200 0.24529200 0.13326500 1.0 Na Na2 1 0.74407900 0.74858000 0.37039800 1.0 Na Na3 1 0.25184300 0.74760400 0.36935300 1.0 Na Na4 1 0.01229000 0.24259300 0.46272400 1.0 Na Na5 1 0.48301300 0.76808300 0.54366700 1.0 Na Na6 1 0.73207800 0.24529200 0.63326500 1.0 Na Na7 1 0.74815700 0.74760400 0.86935300 1.0 Na Na8 1 0.25592100 0.74858000 0.87039800 1.0 Na Na9 1 0.98771000 0.24259300 0.96272400 1.0 Fe Fe10 1 0.98672600 0.78551200 0.17269600 1.0 Fe Fe11 1 0.49763800 0.22226900 0.32336300 1.0 Fe Fe12 1 0.01327400 0.78551200 0.67269600 1.0 Fe Fe13 1 0.50236200 0.22226900 0.82336300 1.0 P P14 1 0.49572100 0.70044200 0.20852300 1.0 P P15 1 0.99838800 0.28717700 0.28904300 1.0 P P16 1 0.50427900 0.70044200 0.70852300 1.0 P P17 1 0.00161200 0.28717700 0.78904300 1.0 C C18 1 0.00716100 0.73224000 0.03227000 1.0 C C19 1 0.50407500 0.27393600 0.46924300 1.0 C C20 1 0.99283900 0.73224000 0.53227000 1.0 C C21 1 0.49592500 0.27393600 0.96924300 1.0 O O22 1 0.48414300 0.29453100 0.03946900 1.0 O O23 1 0.00518700 0.95512100 0.06368000 1.0 O O24 1 0.00839300 0.53646400 0.07670200 1.0 O O25 1 0.30889200 0.78438100 0.15977500 1.0 O O26 1 0.68834500 0.76939000 0.16133000 1.0 O O27 1 0.00636200 0.12787900 0.21739500 1.0 O O28 1 0.48393200 0.41203500 0.22218500 1.0 O O29 1 0.99890700 0.57807400 0.26727600 1.0 O O30 1 0.49912100 0.84250800 0.28309000 1.0 O O31 1 0.81105200 0.22791600 0.33784600 1.0 O O32 1 0.18263000 0.23241000 0.34031400 1.0 O O33 1 0.49670000 0.47643300 0.42608100 1.0 O O34 1 0.49742200 0.04967800 0.43753500 1.0 O O35 1 0.99661600 0.70986800 0.46103400 1.0 O O36 1 0.51585700 0.29453100 0.53946900 1.0 O O37 1 0.99481300 0.95512100 0.56368000 1.0 O O38 1 0.99160700 0.53646400 0.57670200 1.0 O O39 1 0.31165500 0.76939000 0.66133000 1.0 O O40 1 0.69110800 0.78438100 0.65977500 1.0 O O41 1 0.99363800 0.12787900 0.71739500 1.0 O O42 1 0.51606800 0.41203500 0.72218500 1.0 O O43 1 0.00109300 0.57807400 0.76727600 1.0 O O44 1 0.50087900 0.84250800 0.78309000 1.0 O O45 1 0.81737000 0.23241000 0.84031400 1.0 O O46 1 0.18894800 0.22791600 0.83784600 1.0 O O47 1 0.50330000 0.47643300 0.92608100 1.0 O O48 1 0.50257800 0.04967800 0.93753500 1.0 O O49 1 0.00338400 0.70986800 0.96103400 1.0