# generated using pymatgen data_Zr(ScRe6)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.42214688 _cell_length_b 8.42214657 _cell_length_c 8.42214631 _cell_angle_alpha 109.47415085 _cell_angle_beta 109.47415316 _cell_angle_gamma 109.47415035 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr(ScRe6)4 _chemical_formula_sum 'Zr1 Sc4 Re24' _cell_volume 459.83218188 _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 0.63097549 0.63097549 0.63097549 1.0 Sc Sc1 1 0.00246118 0.00246118 0.00246118 1.0 Sc Sc2 1 0.99958775 0.36864597 0.99958775 1.0 Sc Sc3 1 0.36864597 0.99958775 0.99958775 1.0 Sc Sc4 1 0.99958775 0.99958775 0.36864597 1.0 Re Re5 1 0.00169948 0.60412588 0.32446060 1.0 Re Re6 1 0.60412588 0.00169948 0.32446060 1.0 Re Re7 1 0.32446060 0.00169948 0.60412588 1.0 Re Re8 1 0.27799960 0.67542690 0.67542690 1.0 Re Re9 1 0.67542690 0.27799960 0.67542690 1.0 Re Re10 1 0.00169948 0.32446060 0.60412588 1.0 Re Re11 1 0.39714936 0.72036114 0.39714936 1.0 Re Re12 1 0.72036114 0.39714936 0.39714936 1.0 Re Re13 1 0.32446060 0.60412588 0.00169948 1.0 Re Re14 1 0.60412588 0.32446060 0.00169948 1.0 Re Re15 1 0.67542690 0.67542690 0.27799960 1.0 Re Re16 1 0.39714936 0.39714936 0.72036114 1.0 Re Re17 1 0.62278075 0.00077389 0.80757449 1.0 Re Re18 1 0.00077389 0.62278075 0.80757449 1.0 Re Re19 1 0.80757449 0.00077389 0.62278075 1.0 Re Re20 1 0.81430358 0.19108962 0.19108962 1.0 Re Re21 1 0.19108962 0.81430358 0.19108962 1.0 Re Re22 1 0.00077389 0.80757449 0.62278075 1.0 Re Re23 1 0.37621745 0.18347365 0.37621745 1.0 Re Re24 1 0.18347365 0.37621745 0.37621745 1.0 Re Re25 1 0.80757449 0.62278075 0.00077389 1.0 Re Re26 1 0.62278075 0.80757449 0.00077389 1.0 Re Re27 1 0.19108962 0.19108962 0.81430358 1.0 Re Re28 1 0.37621745 0.37621745 0.18347365 1.0