# generated using pymatgen data_ZrSc(Al3Rh)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.41179548 _cell_length_b 7.41338170 _cell_length_c 9.21738302 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.71632814 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSc(Al3Rh)3 _chemical_formula_sum 'Zr2 Sc2 Al18 Rh6' _cell_volume 439.85789042 _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 Zr Zr0 1 0.99425213 0.67233388 0.25000000 1.0 Zr Zr1 1 0.00574787 0.32766612 0.75000000 1.0 Sc Sc2 1 0.67071087 0.99274526 0.25000000 1.0 Sc Sc3 1 0.32928913 0.00725474 0.75000000 1.0 Al Al4 1 0.12459762 0.12318118 0.25000000 1.0 Al Al5 1 0.87540238 0.87681882 0.75000000 1.0 Al Al6 1 0.99717106 0.33437824 0.07637677 1.0 Al Al7 1 0.00282894 0.66562176 0.92362323 1.0 Al Al8 1 0.00282894 0.66562176 0.57637677 1.0 Al Al9 1 0.33515326 0.99845319 0.42362027 1.0 Al Al10 1 0.99717106 0.33437824 0.42362323 1.0 Al Al11 1 0.66484674 0.00154681 0.57637973 1.0 Al Al12 1 0.66484674 0.00154681 0.92362027 1.0 Al Al13 1 0.33515326 0.99845319 0.07637973 1.0 Al Al14 1 0.33162249 0.33174408 0.55646292 1.0 Al Al15 1 0.66837751 0.66825592 0.44353708 1.0 Al Al16 1 0.66837751 0.66825592 0.05646292 1.0 Al Al17 1 0.33162249 0.33174408 0.94353708 1.0 Al Al18 1 0.33688319 0.55199854 0.25000000 1.0 Al Al19 1 0.66311681 0.44800146 0.75000000 1.0 Al Al20 1 0.55584545 0.34168410 0.25000000 1.0 Al Al21 1 0.44415455 0.65831590 0.75000000 1.0 Rh Rh22 1 0.67281800 0.32741645 0.99936444 1.0 Rh Rh23 1 0.32718200 0.67258355 0.00063556 1.0 Rh Rh24 1 0.32718200 0.67258355 0.49936444 1.0 Rh Rh25 1 0.67281800 0.32741645 0.50063556 1.0 Rh Rh26 1 0.00000000 0.00000000 0.00000000 1.0 Rh Rh27 1 0.00000000 0.00000000 0.50000000 1.0