# generated using pymatgen data_Hf7Sc(Si4Mo)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.93349748 _cell_length_b 6.93210816 _cell_length_c 12.64912307 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.99443026 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf7Sc(Si4Mo)2 _chemical_formula_sum 'Hf14 Sc2 Si16 Mo4' _cell_volume 607.96434247 _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 0.65673508 0.00406895 0.28100632 1.0 Hf Hf1 1 0.34326492 0.99593105 0.78100632 1.0 Hf Hf2 1 0.84474039 0.50213532 0.96920080 1.0 Hf Hf3 1 0.15525961 0.49786468 0.46920080 1.0 Hf Hf4 1 0.00280851 0.65558126 0.71933462 1.0 Hf Hf5 1 0.99719149 0.34441874 0.21933462 1.0 Hf Hf6 1 0.49603474 0.35705469 0.12645549 1.0 Hf Hf7 1 0.50396526 0.64294531 0.62645549 1.0 Hf Hf8 1 0.85646660 0.00434162 0.87594267 1.0 Hf Hf9 1 0.14353340 0.99565838 0.37594267 1.0 Hf Hf10 1 0.64425414 0.50292170 0.37352018 1.0 Hf Hf11 1 0.35574586 0.49707830 0.87352018 1.0 Hf Hf12 1 0.00316600 0.85756365 0.12464178 1.0 Hf Hf13 1 0.99683400 0.14243635 0.62464178 1.0 Sc Sc14 1 0.49618990 0.15603581 0.53040920 1.0 Sc Sc15 1 0.50381010 0.84396419 0.03040920 1.0 Si Si16 1 0.79567373 0.14703437 0.07184972 1.0 Si Si17 1 0.20432627 0.85296563 0.57184972 1.0 Si Si18 1 0.64752185 0.70375652 0.82147431 1.0 Si Si19 1 0.35247815 0.29624348 0.32147431 1.0 Si Si20 1 0.85475380 0.20454912 0.42808574 1.0 Si Si21 1 0.14524620 0.79545088 0.92808574 1.0 Si Si22 1 0.70479329 0.64699259 0.17810628 1.0 Si Si23 1 0.29520671 0.35300741 0.67810628 1.0 Si Si24 1 0.54775349 0.19814861 0.93380857 1.0 Si Si25 1 0.45224651 0.80185139 0.43380857 1.0 Si Si26 1 0.69628577 0.95242753 0.68354369 1.0 Si Si27 1 0.30371423 0.04757247 0.18354369 1.0 Si Si28 1 0.80283744 0.45146210 0.56606981 1.0 Si Si29 1 0.19716256 0.54853790 0.06606981 1.0 Si Si30 1 0.95207363 0.69677143 0.31618575 1.0 Si Si31 1 0.04792637 0.30322857 0.81618575 1.0 Mo Mo32 1 0.67644125 0.32577451 0.75020526 1.0 Mo Mo33 1 0.32355875 0.67422549 0.25020526 1.0 Mo Mo34 1 0.82597176 0.82267412 0.50015981 1.0 Mo Mo35 1 0.17402824 0.17732588 0.00015981 1.0