# generated using pymatgen data_Y2Al9CuRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.52625797 _cell_length_b 7.52625282 _cell_length_c 9.41789132 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.55549367 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2Al9CuRu2 _chemical_formula_sum 'Y4 Al18 Cu2 Ru4' _cell_volume 464.05568823 _cell_formula_units_Z 2 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 Y Y0 1 0.99546041 0.67292128 0.25000000 1.0 Y Y1 1 0.00453959 0.32707872 0.75000000 1.0 Y Y2 1 0.67292128 0.99546041 0.25000000 1.0 Y Y3 1 0.32707872 0.00453959 0.75000000 1.0 Al Al4 1 0.13170240 0.13170240 0.25000000 1.0 Al Al5 1 0.86829760 0.86829760 0.75000000 1.0 Al Al6 1 0.00144334 0.33995886 0.07434003 1.0 Al Al7 1 0.99855666 0.66004114 0.92565997 1.0 Al Al8 1 0.99855666 0.66004114 0.57434003 1.0 Al Al9 1 0.33995886 0.00144334 0.42565997 1.0 Al Al10 1 0.00144334 0.33995886 0.42565997 1.0 Al Al11 1 0.66004114 0.99855666 0.57434003 1.0 Al Al12 1 0.66004114 0.99855666 0.92565997 1.0 Al Al13 1 0.33995886 0.00144334 0.07434003 1.0 Al Al14 1 0.33689862 0.33689862 0.54148870 1.0 Al Al15 1 0.66310138 0.66310138 0.45851130 1.0 Al Al16 1 0.66310138 0.66310138 0.04148870 1.0 Al Al17 1 0.33689862 0.33689862 0.95851130 1.0 Al Al18 1 0.33719641 0.55097671 0.25000000 1.0 Al Al19 1 0.66280359 0.44902329 0.75000000 1.0 Al Al20 1 0.55097571 0.33719641 0.25000000 1.0 Al Al21 1 0.44902429 0.66280359 0.75000000 1.0 Cu Cu22 1 0.00000000 0.00000000 0.00000000 1.0 Cu Cu23 1 0.00000000 0.00000000 0.50000000 1.0 Ru Ru24 1 0.67216665 0.32783435 0.00000000 1.0 Ru Ru25 1 0.32783335 0.67216565 0.00000000 1.0 Ru Ru26 1 0.32783335 0.67216565 0.50000000 1.0 Ru Ru27 1 0.67216665 0.32783435 0.50000000 1.0