# generated using pymatgen data_Zr6Fe7(NiP)13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.38281972 _cell_length_b 12.37643016 _cell_length_c 3.62872954 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.95071845 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6Fe7(NiP)13 _chemical_formula_sum 'Zr6 Fe7 Ni13 P13' _cell_volume 481.85417986 _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 Zr Zr0 1 0.80823081 0.28401467 0.50000000 1.0 Zr Zr1 1 0.71782363 0.52468659 0.50000000 1.0 Zr Zr2 1 0.47549085 0.18901672 0.50000000 1.0 Zr Zr3 1 0.19151203 0.71725221 0.00000000 1.0 Zr Zr4 1 0.28192632 0.47680298 0.00000000 1.0 Zr Zr5 1 0.52471756 0.80855119 0.00000000 1.0 Fe Fe6 1 0.41719070 0.97934917 0.00000000 1.0 Fe Fe7 1 0.02113988 0.43831903 0.00000000 1.0 Fe Fe8 1 0.58536509 0.02129851 0.50000000 1.0 Fe Fe9 1 0.55881408 0.57996230 0.00000000 1.0 Fe Fe10 1 0.97847706 0.56430435 0.50000000 1.0 Fe Fe11 1 0.92398420 0.07765216 0.50000000 1.0 Fe Fe12 1 0.15736718 0.07655270 0.50000000 1.0 Ni Ni13 1 0.92164825 0.84227748 0.50000000 1.0 Ni Ni14 1 0.09770483 0.89675035 0.00000000 1.0 Ni Ni15 1 0.79913518 0.90276960 0.00000000 1.0 Ni Ni16 1 0.10514822 0.20374383 0.00000000 1.0 Ni Ni17 1 0.33233301 0.66689882 0.50000000 1.0 Ni Ni18 1 0.66772540 0.33247051 0.00000000 1.0 Ni Ni19 1 0.67904755 0.75046724 0.50000000 1.0 Ni Ni20 1 0.25108349 0.92734128 0.50000000 1.0 Ni Ni21 1 0.92085454 0.67646559 0.00000000 1.0 Ni Ni22 1 0.32432895 0.24668396 0.00000000 1.0 Ni Ni23 1 0.75586924 0.07818806 0.00000000 1.0 Ni Ni24 1 0.43484974 0.41262692 0.50000000 1.0 Ni Ni25 1 0.06984953 0.32346088 0.50000000 1.0 P P26 1 0.99960102 0.99963839 0.00000000 1.0 P P27 1 0.23268214 0.28781164 0.50000000 1.0 P P28 1 0.71220104 0.94752274 0.50000000 1.0 P P29 1 0.05172355 0.76450700 0.50000000 1.0 P P30 1 0.76179611 0.70844379 0.00000000 1.0 P P31 1 0.29022169 0.05450689 0.00000000 1.0 P P32 1 0.47413356 0.61365934 0.50000000 1.0 P P33 1 0.39064456 0.86365416 0.50000000 1.0 P P34 1 0.86361971 0.47454682 0.00000000 1.0 P P35 1 0.52818028 0.38724743 0.00000000 1.0 P P36 1 0.61159181 0.13571627 0.00000000 1.0 P P37 1 0.94580171 0.23676125 0.00000000 1.0 P P38 1 0.13618849 0.52807618 0.50000000 1.0