# generated using pymatgen data_Zr7Sc(TcIr)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.53887874 _cell_length_b 4.63126557 _cell_length_c 9.26005520 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.99920757 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr7Sc(TcIr)4 _chemical_formula_sum 'Zr7 Sc1 Tc4 Ir4' _cell_volume 280.42488091 _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 0.00064426 0.74999900 0.12500645 1.0 Zr Zr1 1 0.50008165 0.25000000 0.37151696 1.0 Zr Zr2 1 0.00002492 0.25000000 0.37406456 1.0 Zr Zr3 1 0.99923889 0.74999900 0.62499059 1.0 Zr Zr4 1 0.49893497 0.74999900 0.62498348 1.0 Zr Zr5 1 0.00002351 0.25000000 0.87593196 1.0 Zr Zr6 1 0.50008758 0.25000000 0.87848518 1.0 Sc Sc7 1 0.50084248 0.74999900 0.12501657 1.0 Tc Tc8 1 0.75324065 0.25000000 0.12500930 1.0 Tc Tc9 1 0.24892130 0.74999900 0.37681288 1.0 Tc Tc10 1 0.74898835 0.25000000 0.62499261 1.0 Tc Tc11 1 0.24891756 0.74999900 0.87319009 1.0 Ir Ir12 1 0.25013565 0.25000000 0.12500379 1.0 Ir Ir13 1 0.74981441 0.74999900 0.37555081 1.0 Ir Ir14 1 0.25028962 0.25000000 0.62499462 1.0 Ir Ir15 1 0.74981521 0.74999900 0.87445115 1.0