# generated using pymatgen data_HfSc2(Co2Sn)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37605363 _cell_length_b 6.21180736 _cell_length_c 13.12262386 _cell_angle_alpha 89.99995364 _cell_angle_beta 89.99952240 _cell_angle_gamma 89.99998776 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfSc2(Co2Sn)3 _chemical_formula_sum 'Hf2 Sc4 Co12 Sn6' _cell_volume 356.71493718 _cell_formula_units_Z 2 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 Hf Hf0 1 0.00000657 0.99999945 0.99961483 1.0 Hf Hf1 1 0.50017399 0.49999775 0.16708260 1.0 Sc Sc2 1 0.00017837 0.99999360 0.33455263 1.0 Sc Sc3 1 0.49999703 0.50000959 0.50091030 1.0 Sc Sc4 1 0.99981812 0.00000552 0.66570821 1.0 Sc Sc5 1 0.49982051 0.49999152 0.83209081 1.0 Co Co6 1 0.50000984 0.24594519 0.00202071 1.0 Co Co7 1 0.50001186 0.75405265 0.00202159 1.0 Co Co8 1 0.00018868 0.25402542 0.16469269 1.0 Co Co9 1 0.00019073 0.74596678 0.16469005 1.0 Co Co10 1 0.50021248 0.25308987 0.33168169 1.0 Co Co11 1 0.50021368 0.74690482 0.33168304 1.0 Co Co12 1 0.00000241 0.24913132 0.50015931 1.0 Co Co13 1 0.99999977 0.75088097 0.50015843 1.0 Co Co14 1 0.49978131 0.25084686 0.66646559 1.0 Co Co15 1 0.49978175 0.74916279 0.66646731 1.0 Co Co16 1 0.99981857 0.24699503 0.83499379 1.0 Co Co17 1 0.99981212 0.75299778 0.83499307 1.0 Sn Sn18 1 0.00000584 0.49999887 0.99765949 1.0 Sn Sn19 1 0.50018585 0.99999828 0.16903350 1.0 Sn Sn20 1 0.00018317 0.49999459 0.33564421 1.0 Sn Sn21 1 0.50000302 0.00000909 0.49995768 1.0 Sn Sn22 1 0.99979981 0.50000548 0.66667201 1.0 Sn Sn23 1 0.49980651 0.99999279 0.83104845 1.0