# generated using pymatgen data_Zr9(NiP2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.04279716 _cell_length_b 12.04265071 _cell_length_c 3.69268898 _cell_angle_alpha 90.00000689 _cell_angle_beta 90.00000342 _cell_angle_gamma 90.00064743 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr9(NiP2)2 _chemical_formula_sum 'Zr18 Ni4 P8' _cell_volume 535.54034237 _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 Zr Zr0 1 0.00000906 -0.00001161 -0.00000007 1.0 Zr Zr1 1 0.49998978 0.50000779 0.00000005 1.0 Zr Zr2 1 0.10326233 0.18169566 0.50000069 1.0 Zr Zr3 1 0.18169939 0.89674160 0.50000034 1.0 Zr Zr4 1 0.81830516 0.10324533 0.50000021 1.0 Zr Zr5 1 0.89675028 0.81829799 0.49999928 1.0 Zr Zr6 1 0.39673901 0.68170296 0.50000048 1.0 Zr Zr7 1 0.60324774 0.31830104 0.49999952 1.0 Zr Zr8 1 0.68169970 0.60326394 0.50000013 1.0 Zr Zr9 1 0.31829512 0.39674572 0.50000041 1.0 Zr Zr10 1 0.09606441 0.40394755 0.00000010 1.0 Zr Zr11 1 0.40394635 0.90395067 -0.00000039 1.0 Zr Zr12 1 0.59604768 0.09604464 -0.00000014 1.0 Zr Zr13 1 0.90394712 0.59606507 -0.00000040 1.0 Zr Zr14 1 0.38047200 0.11951896 0.49999999 1.0 Zr Zr15 1 0.11952018 0.61952298 0.50000014 1.0 Zr Zr16 1 0.88049007 0.38048756 0.49999996 1.0 Zr Zr17 1 0.61951754 0.88047658 0.49999994 1.0 Ni Ni18 1 0.25371345 0.24628775 -0.00000013 1.0 Ni Ni19 1 0.24628345 0.74628346 0.00000051 1.0 Ni Ni20 1 0.75371684 0.25371648 -0.00000043 1.0 Ni Ni21 1 0.74628705 0.75371391 0.00000001 1.0 P P22 1 0.22436808 0.05686338 0.00000007 1.0 P P23 1 0.05686310 0.77563276 -0.00000008 1.0 P P24 1 0.94313901 0.22436616 0.00000001 1.0 P P25 1 0.77563167 0.94313171 -0.00000010 1.0 P P26 1 0.27563323 0.55686180 0.00000001 1.0 P P27 1 0.72436560 0.44313852 -0.00000005 1.0 P P28 1 0.55686348 0.72436663 -0.00000004 1.0 P P29 1 0.44313213 0.27563300 -0.00000002 1.0