# generated using pymatgen data_Zr5Sc(ZnRh2)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43375593 _cell_length_b 6.22235824 _cell_length_c 13.29868021 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00017613 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr5Sc(ZnRh2)6 _chemical_formula_sum 'Zr5 Sc1 Zn6 Rh12' _cell_volume 366.88954540 _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 0.00000642 0.50000000 0.99838615 1.0 Zr Zr1 1 0.49988088 0.00000000 0.16577711 1.0 Zr Zr2 1 0.99990853 0.50000000 0.33333958 1.0 Zr Zr3 1 0.49999723 0.00000000 0.50088132 1.0 Zr Zr4 1 0.00011456 0.50000000 0.66827882 1.0 Sc Sc5 1 0.50010627 0.00000000 0.83333472 1.0 Zn Zn6 1 0.00000002 0.00000000 0.99918780 1.0 Zn Zn7 1 0.49989301 0.50000000 0.16590412 1.0 Zn Zn8 1 0.99988801 0.00000000 0.33332328 1.0 Zn Zn9 1 0.50000001 0.50000000 0.50077163 1.0 Zn Zn10 1 0.00009025 0.00000000 0.66748903 1.0 Zn Zn11 1 0.50011971 0.50000000 0.83332567 1.0 Rh Rh12 1 0.50000457 0.24950171 0.99982948 1.0 Rh Rh13 1 0.50000457 0.75049729 0.99982948 1.0 Rh Rh14 1 0.99988112 0.24996442 0.16669975 1.0 Rh Rh15 1 0.99988112 0.75003558 0.16669975 1.0 Rh Rh16 1 0.49988747 0.25005745 0.33333396 1.0 Rh Rh17 1 0.49988747 0.74994155 0.33333396 1.0 Rh Rh18 1 0.99999833 0.24994806 0.49996725 1.0 Rh Rh19 1 0.99999833 0.75005094 0.49996725 1.0 Rh Rh20 1 0.50011494 0.24949276 0.66683302 1.0 Rh Rh21 1 0.50011494 0.75050624 0.66683302 1.0 Rh Rh22 1 0.00010912 0.24910507 0.83333592 1.0 Rh Rh23 1 0.00010912 0.75089493 0.83333592 1.0