# generated using pymatgen data_Zr3NiSb7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94951552 _cell_length_b 14.43375542 _cell_length_c 17.64187360 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3NiSb7 _chemical_formula_sum 'Zr12 Ni4 Sb28' _cell_volume 1005.69866308 _cell_formula_units_Z 4 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 0.25000000 0.47055793 0.37057249 1.0 Zr Zr1 1 0.75000000 0.52944207 0.62942751 1.0 Zr Zr2 1 0.75000000 0.97055793 0.12942751 1.0 Zr Zr3 1 0.25000000 0.02944207 0.87057249 1.0 Zr Zr4 1 0.25000000 0.91039559 0.39227391 1.0 Zr Zr5 1 0.75000000 0.08960441 0.60772609 1.0 Zr Zr6 1 0.75000000 0.41039559 0.10772609 1.0 Zr Zr7 1 0.25000000 0.58960441 0.89227391 1.0 Zr Zr8 1 0.25000000 0.30934969 0.84668057 1.0 Zr Zr9 1 0.75000000 0.69065031 0.15331943 1.0 Zr Zr10 1 0.75000000 0.80934969 0.65331943 1.0 Zr Zr11 1 0.25000000 0.19065031 0.34668057 1.0 Ni Ni12 1 0.25000000 0.81134801 0.93805783 1.0 Ni Ni13 1 0.75000000 0.18865199 0.06194217 1.0 Ni Ni14 1 0.75000000 0.31134801 0.56194217 1.0 Ni Ni15 1 0.25000000 0.68865199 0.43805783 1.0 Sb Sb16 1 0.25000000 0.29725816 0.02190263 1.0 Sb Sb17 1 0.75000000 0.70274184 0.97809737 1.0 Sb Sb18 1 0.75000000 0.79725816 0.47809737 1.0 Sb Sb19 1 0.25000000 0.20274184 0.52190263 1.0 Sb Sb20 1 0.25000000 0.07642610 0.03718852 1.0 Sb Sb21 1 0.75000000 0.92357390 0.96281148 1.0 Sb Sb22 1 0.75000000 0.57642610 0.46281148 1.0 Sb Sb23 1 0.25000000 0.42357390 0.53718852 1.0 Sb Sb24 1 0.25000000 0.56091722 0.07069811 1.0 Sb Sb25 1 0.75000000 0.43908278 0.92930189 1.0 Sb Sb26 1 0.75000000 0.06091722 0.42930189 1.0 Sb Sb27 1 0.25000000 0.93908278 0.57069811 1.0 Sb Sb28 1 0.25000000 0.82433919 0.09015505 1.0 Sb Sb29 1 0.75000000 0.17566081 0.90984495 1.0 Sb Sb30 1 0.75000000 0.32433919 0.40984495 1.0 Sb Sb31 1 0.25000000 0.67566081 0.59015505 1.0 Sb Sb32 1 0.25000000 0.35510310 0.22779188 1.0 Sb Sb33 1 0.75000000 0.64489690 0.77220812 1.0 Sb Sb34 1 0.75000000 0.85510310 0.27220812 1.0 Sb Sb35 1 0.25000000 0.14489690 0.72779188 1.0 Sb Sb36 1 0.25000000 0.02178856 0.24695962 1.0 Sb Sb37 1 0.75000000 0.97821144 0.75304038 1.0 Sb Sb38 1 0.75000000 0.52178856 0.25304038 1.0 Sb Sb39 1 0.25000000 0.47821144 0.74695962 1.0 Sb Sb40 1 0.25000000 0.68604151 0.29146588 1.0 Sb Sb41 1 0.75000000 0.31395849 0.70853412 1.0 Sb Sb42 1 0.75000000 0.18604151 0.20853412 1.0 Sb Sb43 1 0.25000000 0.81395849 0.79146588 1.0