# generated using pymatgen data_Mg4Fe3Ni17P12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.57387868 _cell_length_b 10.22137858 _cell_length_c 11.66671611 _cell_angle_alpha 90.15478474 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg4Fe3Ni17P12 _chemical_formula_sum 'Mg4 Fe3 Ni17 P12' _cell_volume 426.18319953 _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 Mg Mg0 1 0.25000000 0.57755200 0.70514453 1.0 Mg Mg1 1 0.25000000 0.92143675 0.20641899 1.0 Mg Mg2 1 0.75000000 0.42243737 0.29583567 1.0 Mg Mg3 1 0.75000000 0.07715105 0.79140658 1.0 Fe Fe4 1 0.25000000 0.03656202 0.42694557 1.0 Fe Fe5 1 0.75000000 0.53545544 0.06902202 1.0 Fe Fe6 1 0.75000000 0.96335570 0.57034501 1.0 Ni Ni7 1 0.25000000 0.71425557 0.99535887 1.0 Ni Ni8 1 0.25000000 0.78357421 0.50020161 1.0 Ni Ni9 1 0.75000000 0.28327213 0.99922864 1.0 Ni Ni10 1 0.75000000 0.21589847 0.50068956 1.0 Ni Ni11 1 0.25000000 0.40659212 0.48103398 1.0 Ni Ni12 1 0.25000000 0.09296396 0.97935866 1.0 Ni Ni13 1 0.75000000 0.59245087 0.52042745 1.0 Ni Ni14 1 0.75000000 0.90510202 0.02301167 1.0 Ni Ni15 1 0.25000000 0.22335870 0.17328709 1.0 Ni Ni16 1 0.25000000 0.27528539 0.67365894 1.0 Ni Ni17 1 0.75000000 0.77867773 0.82617785 1.0 Ni Ni18 1 0.75000000 0.72315899 0.32721289 1.0 Ni Ni19 1 0.25000000 0.88253870 0.70556447 1.0 Ni Ni20 1 0.25000000 0.61723547 0.20614906 1.0 Ni Ni21 1 0.75000000 0.11938879 0.29357395 1.0 Ni Ni22 1 0.75000000 0.38648016 0.79630823 1.0 Ni Ni23 1 0.25000000 0.46449522 0.93002144 1.0 P P24 1 0.25000000 0.42350830 0.11675627 1.0 P P25 1 0.25000000 0.07667793 0.61049226 1.0 P P26 1 0.75000000 0.58189295 0.88749868 1.0 P P27 1 0.75000000 0.92309462 0.38764386 1.0 P P28 1 0.25000000 0.26136682 0.86269261 1.0 P P29 1 0.25000000 0.23509396 0.36485541 1.0 P P30 1 0.75000000 0.73352934 0.13651840 1.0 P P31 1 0.75000000 0.76537880 0.63479252 1.0 P P32 1 0.25000000 0.60033975 0.39459764 1.0 P P33 1 0.25000000 0.90029392 0.89440686 1.0 P P34 1 0.75000000 0.39967234 0.60795887 1.0 P P35 1 0.75000000 0.10047147 0.10540690 1.0