# generated using pymatgen data_Zr6Al16Ni6Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.51771775 _cell_length_b 8.51771834 _cell_length_c 8.51771923 _cell_angle_alpha 60.00000035 _cell_angle_beta 59.99999808 _cell_angle_gamma 59.99999877 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6Al16Ni6Ru _chemical_formula_sum 'Zr6 Al16 Ni6 Ru1' _cell_volume 436.97323140 _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 0.69289463 0.69289463 0.30710537 1.0 Zr Zr1 1 0.30710537 0.69289463 0.30710537 1.0 Zr Zr2 1 0.69289463 0.30710537 0.30710537 1.0 Zr Zr3 1 0.30710537 0.30710537 0.69289463 1.0 Zr Zr4 1 0.69289463 0.30710537 0.69289463 1.0 Zr Zr5 1 0.30710537 0.69289463 0.69289463 1.0 Al Al6 1 0.88025823 0.88025823 0.35922431 1.0 Al Al7 1 0.88025823 0.35922431 0.88025823 1.0 Al Al8 1 0.35922431 0.88025823 0.88025823 1.0 Al Al9 1 0.88025823 0.88025823 0.88025823 1.0 Al Al10 1 0.11974177 0.11974177 0.64077569 1.0 Al Al11 1 0.11974177 0.64077569 0.11974177 1.0 Al Al12 1 0.64077569 0.11974177 0.11974177 1.0 Al Al13 1 0.11974177 0.11974177 0.11974177 1.0 Al Al14 1 0.66668193 0.66668193 0.99995620 1.0 Al Al15 1 0.66668193 0.99995620 0.66668193 1.0 Al Al16 1 0.99995620 0.66668193 0.66668193 1.0 Al Al17 1 0.66668193 0.66668193 0.66668193 1.0 Al Al18 1 0.33331807 0.33331807 0.00004380 1.0 Al Al19 1 0.33331807 0.00004380 0.33331807 1.0 Al Al20 1 0.00004380 0.33331807 0.33331807 1.0 Al Al21 1 0.33331807 0.33331807 0.33331807 1.0 Ni Ni22 1 0.00000000 0.00000000 0.50000000 1.0 Ni Ni23 1 0.50000000 0.00000000 0.50000000 1.0 Ni Ni24 1 0.00000000 0.50000000 0.50000000 1.0 Ni Ni25 1 0.50000000 0.50000000 0.00000000 1.0 Ni Ni26 1 0.00000000 0.50000000 0.00000000 1.0 Ni Ni27 1 0.50000000 0.00000000 0.00000000 1.0 Ru Ru28 1 0.00000000 0.00000000 0.00000000 1.0