# generated using pymatgen data_ZrSc5(Co2Sn)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37527620 _cell_length_b 6.22119306 _cell_length_c 13.12542195 _cell_angle_alpha 90.00007898 _cell_angle_beta 90.00043504 _cell_angle_gamma 90.00006352 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSc5(Co2Sn)6 _chemical_formula_sum 'Zr1 Sc5 Co12 Sn6' _cell_volume 357.26660821 _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 0.00000000 0.50000100 0.00000000 1.0 Sc Sc1 1 0.50020075 0.00000285 0.16746064 1.0 Sc Sc2 1 0.00019535 0.50000517 0.33431061 1.0 Sc Sc3 1 0.50000000 0.00000000 0.50000000 1.0 Sc Sc4 1 0.99980365 0.49999683 0.66568939 1.0 Sc Sc5 1 0.49979925 0.99999715 0.83253936 1.0 Co Co6 1 0.49999994 0.25325312 0.00000009 1.0 Co Co7 1 0.50000006 0.74674688 0.99999991 1.0 Co Co8 1 0.00023348 0.25076564 0.16623584 1.0 Co Co9 1 0.00023472 0.74923402 0.16623497 1.0 Co Co10 1 0.50025777 0.24955766 0.33387581 1.0 Co Co11 1 0.50025800 0.75044417 0.33387736 1.0 Co Co12 1 0.00000016 0.25000383 0.49999904 1.0 Co Co13 1 0.99999984 0.74999617 0.50000096 1.0 Co Co14 1 0.49974100 0.24955483 0.66612364 1.0 Co Co15 1 0.49974123 0.75044134 0.66612519 1.0 Co Co16 1 0.99976428 0.25076598 0.83376503 1.0 Co Co17 1 0.99976552 0.74923436 0.83376416 1.0 Sn Sn18 1 0.00000000 0.00000000 0.00000000 1.0 Sn Sn19 1 0.50018030 0.49999491 0.16920009 1.0 Sn Sn20 1 0.00021624 0.00000515 0.33362221 1.0 Sn Sn21 1 0.50000000 0.50000100 0.50000000 1.0 Sn Sn22 1 0.99978376 0.99999485 0.66637779 1.0 Sn Sn23 1 0.49981870 0.50000709 0.83079991 1.0