# generated using pymatgen data_Zr6Al2Ga5Ni16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.20316870 _cell_length_b 8.20316756 _cell_length_c 8.19206935 _cell_angle_alpha 60.04474406 _cell_angle_beta 60.04474867 _cell_angle_gamma 60.04131513 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6Al2Ga5Ni16 _chemical_formula_sum 'Zr6 Al2 Ga5 Ni16' _cell_volume 390.18525347 _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 0.71031537 0.71031537 0.28968463 1.0 Zr Zr1 1 0.29056560 0.70943440 0.28964226 1.0 Zr Zr2 1 0.70943440 0.29056560 0.28964226 1.0 Zr Zr3 1 0.28968463 0.28968463 0.71031537 1.0 Zr Zr4 1 0.70943440 0.29056560 0.71035774 1.0 Zr Zr5 1 0.29056560 0.70943440 0.71035774 1.0 Al Al6 1 0.00000000 0.00000000 0.00000000 1.0 Al Al7 1 0.00000000 0.00000000 0.50000000 1.0 Ga Ga8 1 0.50000000 0.00000000 0.50000000 1.0 Ga Ga9 1 0.00000000 0.50000000 0.50000000 1.0 Ga Ga10 1 0.50000000 0.50000000 0.00000000 1.0 Ga Ga11 1 0.00000000 0.50000000 0.00000000 1.0 Ga Ga12 1 0.50000000 0.00000000 0.00000000 1.0 Ni Ni13 1 0.88023642 0.88023642 0.36319612 1.0 Ni Ni14 1 0.87910851 0.36226153 0.87931548 1.0 Ni Ni15 1 0.36226153 0.87910851 0.87931548 1.0 Ni Ni16 1 0.88023642 0.88023642 0.87633003 1.0 Ni Ni17 1 0.11976358 0.11976358 0.63680388 1.0 Ni Ni18 1 0.12089149 0.63773847 0.12068452 1.0 Ni Ni19 1 0.63773847 0.12089149 0.12068452 1.0 Ni Ni20 1 0.11976358 0.11976358 0.12366997 1.0 Ni Ni21 1 0.66996677 0.66996677 0.99128726 1.0 Ni Ni22 1 0.66981859 0.99288324 0.66864908 1.0 Ni Ni23 1 0.99288324 0.66981859 0.66864908 1.0 Ni Ni24 1 0.66996677 0.66996677 0.66877920 1.0 Ni Ni25 1 0.33003323 0.33003323 0.00871274 1.0 Ni Ni26 1 0.33018141 0.00711676 0.33135092 1.0 Ni Ni27 1 0.00711676 0.33018141 0.33135092 1.0 Ni Ni28 1 0.33003323 0.33003323 0.33122080 1.0