# generated using pymatgen data_Zr6Al16Co2Ni5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.48756024 _cell_length_b 8.48756114 _cell_length_c 8.46928409 _cell_angle_alpha 60.07120426 _cell_angle_beta 60.07120080 _cell_angle_gamma 59.76508006 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6Al16Co2Ni5 _chemical_formula_sum 'Zr6 Al16 Co2 Ni5' _cell_volume 431.10734007 _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 0.69592397 0.69592397 0.30407603 1.0 Zr Zr1 1 0.30964610 0.69035390 0.30869677 1.0 Zr Zr2 1 0.69035390 0.30964610 0.30869677 1.0 Zr Zr3 1 0.30407603 0.30407603 0.69592397 1.0 Zr Zr4 1 0.69035390 0.30964610 0.69130323 1.0 Zr Zr5 1 0.30964610 0.69035390 0.69130323 1.0 Al Al6 1 0.88218235 0.88218235 0.35358646 1.0 Al Al7 1 0.87758292 0.35445962 0.88397823 1.0 Al Al8 1 0.35445962 0.87758292 0.88397823 1.0 Al Al9 1 0.88218235 0.88218235 0.88204785 1.0 Al Al10 1 0.11781765 0.11781765 0.64641354 1.0 Al Al11 1 0.12241708 0.64554038 0.11602177 1.0 Al Al12 1 0.64554038 0.12241708 0.11602177 1.0 Al Al13 1 0.11781765 0.11781765 0.11795215 1.0 Al Al14 1 0.66627372 0.66627372 0.99908423 1.0 Al Al15 1 0.66633321 0.99884601 0.66741089 1.0 Al Al16 1 0.99884601 0.66633321 0.66741089 1.0 Al Al17 1 0.66627372 0.66627372 0.66836833 1.0 Al Al18 1 0.33372628 0.33372628 0.00091577 1.0 Al Al19 1 0.33366679 0.00115399 0.33258911 1.0 Al Al20 1 0.00115399 0.33366679 0.33258911 1.0 Al Al21 1 0.33372628 0.33372628 0.33163167 1.0 Co Co22 1 0.00000000 0.00000000 0.00000000 1.0 Co Co23 1 0.50000000 0.50000000 0.00000000 1.0 Ni Ni24 1 0.00000000 0.00000000 0.50000000 1.0 Ni Ni25 1 0.50000000 0.00000000 0.50000000 1.0 Ni Ni26 1 0.00000000 0.50000000 0.50000000 1.0 Ni Ni27 1 0.00000000 0.50000000 0.00000000 1.0 Ni Ni28 1 0.50000000 0.00000000 0.00000000 1.0