# generated using pymatgen data_Hf54Os17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.31234101 _cell_length_b 12.31234101 _cell_length_c 12.31234101 _cell_angle_alpha 111.40121543 _cell_angle_beta 109.88368962 _cell_angle_gamma 107.15703369 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf54Os17 _chemical_formula_sum 'Hf54 Os17' _cell_volume 1434.80027401 _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 Hf Hf0 1 0.79054400 0.29810800 0.87580700 1.0 Hf Hf1 1 0.46754900 0.16881600 0.06589800 1.0 Hf Hf2 1 0.82985800 0.93841300 0.10855500 1.0 Hf Hf3 1 0.79054400 0.91473700 0.49243600 1.0 Hf Hf4 1 0.06524300 0.48496600 0.19357900 1.0 Hf Hf5 1 0.39232700 0.37406400 0.76639000 1.0 Hf Hf6 1 0.93475700 0.12833600 0.41972300 1.0 Hf Hf7 1 0.10291800 0.40165100 0.93410200 1.0 Hf Hf8 1 0.10803600 0.17861200 0.28664900 1.0 Hf Hf9 1 0.08724600 0.89924500 0.18800100 1.0 Hf Hf10 1 0.20945600 0.08526300 0.50756400 1.0 Hf Hf11 1 0.10803600 0.82138800 0.92942400 1.0 Hf Hf12 1 0.00000000 0.39048900 0.39048900 1.0 Hf Hf13 1 0.71124400 0.89924500 0.81199900 1.0 Hf Hf14 1 0.17014200 0.06158700 0.89144400 1.0 Hf Hf15 1 0.20945600 0.70189200 0.12419300 1.0 Hf Hf16 1 0.66571400 0.26685000 0.60113500 1.0 Hf Hf17 1 0.29138600 0.48496600 0.41972300 1.0 Hf Hf18 1 0.42230100 0.29810800 0.50756400 1.0 Hf Hf19 1 0.70861400 0.51503400 0.58027700 1.0 Hf Hf20 1 0.17014200 0.27869800 0.10855500 1.0 Hf Hf21 1 0.91732100 0.59563900 0.32168200 1.0 Hf Hf22 1 0.08267900 0.40436100 0.67831800 1.0 Hf Hf23 1 0.89708200 0.59834900 0.06589800 1.0 Hf Hf24 1 0.72604200 0.40436100 0.32168200 1.0 Hf Hf25 1 0.35491100 0.35491100 0.00000000 1.0 Hf Hf26 1 0.89708200 0.83118400 0.29873200 1.0 Hf Hf27 1 0.91275400 0.10075500 0.81199900 1.0 Hf Hf28 1 0.53245100 0.59834900 0.70126800 1.0 Hf Hf29 1 0.53245100 0.83118400 0.93410200 1.0 Hf Hf30 1 0.57769900 0.08526300 0.87580700 1.0 Hf Hf31 1 0.64508900 0.64508900 0.00000000 1.0 Hf Hf32 1 0.10291800 0.16881600 0.70126800 1.0 Hf Hf33 1 0.60687700 0.00000000 0.60687700 1.0 Hf Hf34 1 0.39232700 0.62593600 0.01826300 1.0 Hf Hf35 1 0.29138600 0.87166400 0.80642100 1.0 Hf Hf36 1 0.89196400 0.82138800 0.71335100 1.0 Hf Hf37 1 0.89196400 0.17861200 0.07057600 1.0 Hf Hf38 1 0.60767300 0.37406400 0.98173700 1.0 Hf Hf39 1 0.60767300 0.62593600 0.23361000 1.0 Hf Hf40 1 0.70861400 0.12833600 0.19357900 1.0 Hf Hf41 1 0.46754900 0.40165100 0.29873200 1.0 Hf Hf42 1 0.27395800 0.59563900 0.67831800 1.0 Hf Hf43 1 0.33428600 0.73315000 0.39886500 1.0 Hf Hf44 1 0.39312300 0.00000000 0.39312300 1.0 Hf Hf45 1 0.66571400 0.06457900 0.39886500 1.0 Hf Hf46 1 0.82985800 0.72130200 0.89144400 1.0 Hf Hf47 1 0.28875600 0.10075500 0.18800100 1.0 Hf Hf48 1 0.00000000 0.60951100 0.60951100 1.0 Hf Hf49 1 0.57769900 0.70189200 0.49243600 1.0 Hf Hf50 1 0.33428600 0.93542100 0.60113500 1.0 Hf Hf51 1 0.42230100 0.91473700 0.12419300 1.0 Hf Hf52 1 0.06524300 0.87166400 0.58027700 1.0 Hf Hf53 1 0.93475700 0.51503400 0.80642100 1.0 Os Os54 1 0.50000000 0.19037900 0.69037900 1.0 Os Os55 1 0.66527500 0.46614100 0.80086600 1.0 Os Os56 1 0.88387200 0.21632500 0.66754700 1.0 Os Os57 1 0.78778900 0.67118500 0.45897400 1.0 Os Os58 1 0.45122200 0.78367500 0.66754700 1.0 Os Os59 1 0.66527500 0.86440900 0.19913400 1.0 Os Os60 1 0.33472500 0.13559100 0.80086600 1.0 Os Os61 1 0.11612800 0.78367500 0.33245300 1.0 Os Os62 1 0.21221100 0.67118500 0.88339600 1.0 Os Os63 1 0.83692300 0.33692300 0.50000000 1.0 Os Os64 1 0.16307700 0.66307700 0.50000000 1.0 Os Os65 1 0.00000000 0.00000000 0.00000000 1.0 Os Os66 1 0.50000000 0.80962100 0.30962100 1.0 Os Os67 1 0.54877800 0.21632500 0.33245300 1.0 Os Os68 1 0.21221100 0.32881500 0.54102600 1.0 Os Os69 1 0.78778900 0.32881500 0.11660400 1.0 Os Os70 1 0.33472500 0.53385900 0.19913400 1.0