# generated using pymatgen data_Yb11Sc(CuSi)12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21474065 _cell_length_b 7.16432516 _cell_length_c 20.51187024 _cell_angle_alpha 90.18242365 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Yb11Sc(CuSi)12 _chemical_formula_sum 'Yb11 Sc1 Cu12 Si12' _cell_volume 619.36862739 _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 Yb Yb0 1 0.25000000 0.71384131 0.00165523 1.0 Yb Yb1 1 0.75000000 0.28470049 0.99572761 1.0 Yb Yb2 1 0.75000000 0.20917515 0.49787911 1.0 Yb Yb3 1 0.25000000 0.79242434 0.50426972 1.0 Yb Yb4 1 0.25000000 0.79601508 0.16552435 1.0 Yb Yb5 1 0.75000000 0.21053416 0.83280417 1.0 Yb Yb6 1 0.75000000 0.29814201 0.33349549 1.0 Yb Yb7 1 0.25000000 0.70499426 0.66775855 1.0 Yb Yb8 1 0.25000000 0.70201830 0.33310428 1.0 Yb Yb9 1 0.75000000 0.29762982 0.66777126 1.0 Yb Yb10 1 0.75000000 0.20080047 0.16584281 1.0 Sc Sc11 1 0.25000000 0.79105106 0.83297297 1.0 Cu Cu12 1 0.25000000 0.41236493 0.09434329 1.0 Cu Cu13 1 0.75000000 0.58507185 0.90149357 1.0 Cu Cu14 1 0.75000000 0.91368166 0.40414373 1.0 Cu Cu15 1 0.25000000 0.08710209 0.59920950 1.0 Cu Cu16 1 0.25000000 0.41165585 0.23624185 1.0 Cu Cu17 1 0.75000000 0.59251581 0.76651902 1.0 Cu Cu18 1 0.75000000 0.91197904 0.26354457 1.0 Cu Cu19 1 0.25000000 0.08673055 0.73974168 1.0 Cu Cu20 1 0.25000000 0.41682095 0.43900227 1.0 Cu Cu21 1 0.75000000 0.58527509 0.56319843 1.0 Cu Cu22 1 0.75000000 0.91467901 0.06423905 1.0 Cu Cu23 1 0.25000000 0.07797391 0.93454790 1.0 Si Si24 1 0.25000000 0.08769095 0.06427714 1.0 Si Si25 1 0.75000000 0.90445299 0.92248812 1.0 Si Si26 1 0.75000000 0.59164136 0.43392415 1.0 Si Si27 1 0.25000000 0.40935287 0.56810110 1.0 Si Si28 1 0.25000000 0.08130327 0.27231355 1.0 Si Si29 1 0.75000000 0.91770132 0.73323464 1.0 Si Si30 1 0.75000000 0.58099641 0.22635694 1.0 Si Si31 1 0.25000000 0.42549139 0.77330132 1.0 Si Si32 1 0.25000000 0.08444330 0.39520332 1.0 Si Si33 1 0.75000000 0.91698010 0.60776495 1.0 Si Si34 1 0.75000000 0.58181978 0.10352370 1.0 Si Si35 1 0.25000000 0.42094806 0.89447865 1.0