# generated using pymatgen data_Hf27(Si3P5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 15.21754306 _cell_length_b 15.21754306 _cell_length_c 15.21754306 _cell_angle_alpha 166.75681343 _cell_angle_beta 101.84721094 _cell_angle_gamma 79.70542459 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf27(Si3P5)2 _chemical_formula_sum 'Hf27 Si6 P10' _cell_volume 786.57569900 _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 0.52187800 0.39154800 0.13033000 1.0 Hf Hf1 1 0.47812200 0.60845200 0.86967000 1.0 Hf Hf2 1 0.26121900 0.39154800 0.86967000 1.0 Hf Hf3 1 0.73878100 0.60845200 0.13033000 1.0 Hf Hf4 1 0.31478300 0.18257600 0.13220600 1.0 Hf Hf5 1 0.68521700 0.81742400 0.86779400 1.0 Hf Hf6 1 0.05037000 0.18257600 0.86779400 1.0 Hf Hf7 1 0.94963000 0.81742400 0.13220600 1.0 Hf Hf8 1 0.31593400 0.06914700 0.24678700 1.0 Hf Hf9 1 0.68406600 0.93085300 0.75321300 1.0 Hf Hf10 1 0.82236000 0.06914700 0.75321300 1.0 Hf Hf11 1 0.17764000 0.93085300 0.24678700 1.0 Hf Hf12 1 0.53281200 0.21612400 0.31668800 1.0 Hf Hf13 1 0.46718800 0.78387600 0.68331200 1.0 Hf Hf14 1 0.89943600 0.21612400 0.68331200 1.0 Hf Hf15 1 0.10056400 0.78387600 0.31668800 1.0 Hf Hf16 1 0.82663900 0.42056100 0.40607800 1.0 Hf Hf17 1 0.17336100 0.57943900 0.59392200 1.0 Hf Hf18 1 0.01448300 0.42056100 0.59392200 1.0 Hf Hf19 1 0.98551700 0.57943900 0.40607800 1.0 Hf Hf20 1 0.21929800 0.71929800 0.50000000 1.0 Hf Hf21 1 0.78070200 0.28070200 0.50000000 1.0 Hf Hf22 1 0.35179600 0.85179600 0.50000000 1.0 Hf Hf23 1 0.64820400 0.14820400 0.50000000 1.0 Hf Hf24 1 0.41823400 0.00000000 0.41823400 1.0 Hf Hf25 1 0.58176600 0.00000000 0.58176600 1.0 Hf Hf26 1 0.00000000 0.00000000 0.00000000 1.0 Si Si27 1 0.60974500 0.34234900 0.26739600 1.0 Si Si28 1 0.39025500 0.65765100 0.73260400 1.0 Si Si29 1 0.07495300 0.34234900 0.73260400 1.0 Si Si30 1 0.92504700 0.65765100 0.26739600 1.0 Si Si31 1 0.12620900 0.12620900 0.00000000 1.0 Si Si32 1 0.87379100 0.87379100 0.00000000 1.0 P P33 1 0.36090900 0.28570600 0.07520200 1.0 P P34 1 0.63909200 0.71429400 0.92479800 1.0 P P35 1 0.21050400 0.28570600 0.92479800 1.0 P P36 1 0.78949600 0.71429400 0.07520200 1.0 P P37 1 0.43868800 0.43868800 0.00000000 1.0 P P38 1 0.56131200 0.56131200 0.00000000 1.0 P P39 1 0.68808200 0.50000000 0.18808200 1.0 P P40 1 0.31191800 0.50000000 0.81191800 1.0 P P41 1 0.13968900 0.00000000 0.13968900 1.0 P P42 1 0.86031100 0.00000000 0.86031100 1.0