# generated using pymatgen data_Nd3Al12RuRh3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.86123996 _cell_length_b 8.86124086 _cell_length_c 9.58681461 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000395 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd3Al12RuRh3 _chemical_formula_sum 'Nd6 Al24 Ru2 Rh6' _cell_volume 651.91951642 _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 Nd Nd0 1 0.19058853 0.38117605 0.25000000 1.0 Nd Nd1 1 0.80941147 0.61882395 0.75000000 1.0 Nd Nd2 1 0.61882395 0.80941147 0.25000000 1.0 Nd Nd3 1 0.38117605 0.19058853 0.75000000 1.0 Nd Nd4 1 0.19058853 0.80941147 0.25000000 1.0 Nd Nd5 1 0.80941147 0.19058853 0.75000000 1.0 Al Al6 1 0.33333300 0.66666700 0.01799642 1.0 Al Al7 1 0.66666700 0.33333300 0.98200358 1.0 Al Al8 1 0.66666700 0.33333300 0.51799642 1.0 Al Al9 1 0.33333300 0.66666700 0.48200358 1.0 Al Al10 1 0.16357477 0.32715053 0.57540769 1.0 Al Al11 1 0.83642523 0.67284947 0.42459231 1.0 Al Al12 1 0.67284947 0.83642523 0.57540769 1.0 Al Al13 1 0.83642523 0.67284947 0.07540769 1.0 Al Al14 1 0.32715053 0.16357477 0.42459231 1.0 Al Al15 1 0.16357477 0.32715053 0.92459231 1.0 Al Al16 1 0.16357477 0.83642523 0.57540769 1.0 Al Al17 1 0.32715053 0.16357477 0.07540769 1.0 Al Al18 1 0.83642523 0.16357477 0.42459231 1.0 Al Al19 1 0.67284947 0.83642523 0.92459231 1.0 Al Al20 1 0.83642523 0.16357477 0.07540769 1.0 Al Al21 1 0.16357477 0.83642523 0.92459231 1.0 Al Al22 1 0.56326565 0.12653029 0.25000000 1.0 Al Al23 1 0.43673435 0.87346971 0.75000000 1.0 Al Al24 1 0.87346971 0.43673435 0.25000000 1.0 Al Al25 1 0.12653029 0.56326565 0.75000000 1.0 Al Al26 1 0.56326565 0.43673435 0.25000000 1.0 Al Al27 1 0.43673435 0.56326565 0.75000000 1.0 Al Al28 1 0.00000000 0.00000000 0.25000000 1.0 Al Al29 1 0.00000000 0.00000000 0.75000000 1.0 Ru Ru30 1 0.00000000 0.00000000 0.00000000 1.0 Ru Ru31 1 0.00000000 0.00000000 0.50000000 1.0 Rh Rh32 1 0.50000000 0.00000000 0.00000000 1.0 Rh Rh33 1 0.00000000 0.50000000 0.00000000 1.0 Rh Rh34 1 0.50000000 0.00000000 0.50000000 1.0 Rh Rh35 1 0.50000000 0.50000000 0.00000000 1.0 Rh Rh36 1 0.00000000 0.50000000 0.50000000 1.0 Rh Rh37 1 0.50000000 0.50000000 0.50000000 1.0