# generated using pymatgen data_Zr6Ni23 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.08013889 _cell_length_b 8.08013889 _cell_length_c 8.08013889 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6Ni23 _chemical_formula_sum 'Zr6 Ni23' _cell_volume 373.02804104 _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 0.71286700 0.71286700 0.28713300 1.0 Zr Zr1 1 0.28713300 0.71286700 0.28713300 1.0 Zr Zr2 1 0.71286700 0.28713300 0.28713300 1.0 Zr Zr3 1 0.28713300 0.28713300 0.71286700 1.0 Zr Zr4 1 0.71286700 0.28713300 0.71286700 1.0 Zr Zr5 1 0.28713300 0.71286700 0.71286700 1.0 Ni Ni6 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni7 1 0.00000000 0.00000000 0.50000000 1.0 Ni Ni8 1 0.50000000 0.00000000 0.50000000 1.0 Ni Ni9 1 0.00000000 0.50000000 0.50000000 1.0 Ni Ni10 1 0.50000000 0.50000000 0.00000000 1.0 Ni Ni11 1 0.00000000 0.50000000 0.00000000 1.0 Ni Ni12 1 0.50000000 0.00000000 0.00000000 1.0 Ni Ni13 1 0.88004200 0.88004200 0.35987300 1.0 Ni Ni14 1 0.88004200 0.35987300 0.88004200 1.0 Ni Ni15 1 0.35987300 0.88004200 0.88004200 1.0 Ni Ni16 1 0.88004200 0.88004200 0.88004200 1.0 Ni Ni17 1 0.11995800 0.11995800 0.64012700 1.0 Ni Ni18 1 0.11995800 0.64012700 0.11995800 1.0 Ni Ni19 1 0.64012700 0.11995800 0.11995800 1.0 Ni Ni20 1 0.11995800 0.11995800 0.11995800 1.0 Ni Ni21 1 0.67135600 0.67135600 0.98593100 1.0 Ni Ni22 1 0.67135600 0.98593100 0.67135600 1.0 Ni Ni23 1 0.98593100 0.67135600 0.67135600 1.0 Ni Ni24 1 0.67135600 0.67135600 0.67135600 1.0 Ni Ni25 1 0.32864400 0.32864400 0.01406900 1.0 Ni Ni26 1 0.32864400 0.01406900 0.32864400 1.0 Ni Ni27 1 0.01406900 0.32864400 0.32864400 1.0 Ni Ni28 1 0.32864400 0.32864400 0.32864400 1.0