# generated using pymatgen data_HfSc(ZnPt2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.07448323 _cell_length_b 7.61770523 _cell_length_c 12.20040889 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00001929 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfSc(ZnPt2)2 _chemical_formula_sum 'Hf3 Sc3 Zn6 Pt12' _cell_volume 378.67888048 _cell_formula_units_Z 3 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 0.00000243 0.50000000 0.99883845 1.0 Hf Hf1 1 0.50001032 0.00000000 0.16667461 1.0 Hf Hf2 1 0.00000420 0.50000000 0.33450639 1.0 Sc Sc3 1 0.49999498 0.00000000 0.50083333 1.0 Sc Sc4 1 0.99999274 0.50000000 0.66664152 1.0 Sc Sc5 1 0.49999561 0.00000000 0.83248043 1.0 Zn Zn6 1 0.99999985 0.00000000 0.99807220 1.0 Zn Zn7 1 0.50001313 0.50000000 0.16664105 1.0 Zn Zn8 1 0.00001111 0.00000000 0.33524063 1.0 Zn Zn9 1 0.49999441 0.50000000 0.50176366 1.0 Zn Zn10 1 0.99999046 0.00000000 0.66669769 1.0 Zn Zn11 1 0.49998913 0.50000000 0.83159939 1.0 Pt Pt12 1 0.50000387 0.25159547 0.00053893 1.0 Pt Pt13 1 0.50000387 0.74840453 0.00053893 1.0 Pt Pt14 1 0.00000627 0.24984284 0.16666837 1.0 Pt Pt15 1 0.00000627 0.75015716 0.16666837 1.0 Pt Pt16 1 0.50000849 0.25160343 0.33279732 1.0 Pt Pt17 1 0.50000849 0.74839657 0.33279732 1.0 Pt Pt18 1 0.99999294 0.25113574 0.49985532 1.0 Pt Pt19 1 0.99999294 0.74886426 0.49985532 1.0 Pt Pt20 1 0.49998705 0.24973414 0.66666582 1.0 Pt Pt21 1 0.49998705 0.75026586 0.66666582 1.0 Pt Pt22 1 0.99999871 0.25113916 0.83347906 1.0 Pt Pt23 1 0.99999871 0.74886084 0.83347906 1.0