# generated using pymatgen data_Hf4Sn(B7Ir6)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.41887125 _cell_length_b 7.83329149 _cell_length_c 13.57547869 _cell_angle_alpha 90.05556361 _cell_angle_beta 90.04196774 _cell_angle_gamma 90.10304261 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf4Sn(B7Ir6)2 _chemical_formula_sum 'Hf4 Sn1 B14 Ir12' _cell_volume 363.56424245 _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 0.25038566 0.49650533 0.83768883 1.0 Hf Hf1 1 0.25333808 0.00335144 0.32832228 1.0 Hf Hf2 1 0.74666192 0.99664856 0.67167772 1.0 Hf Hf3 1 0.74961434 0.50349467 0.16231117 1.0 Sn Sn4 1 0.50000000 0.50000000 0.50000000 1.0 B B5 1 0.50000000 0.00000000 0.00000000 1.0 B B6 1 0.00000000 0.00000000 0.00000000 1.0 B B7 1 0.74991824 0.32278072 0.73065426 1.0 B B8 1 0.75153459 0.83037602 0.21816860 1.0 B B9 1 0.75125893 0.75286977 0.80683370 1.0 B B10 1 0.75374809 0.24744215 0.29482420 1.0 B B11 1 0.75111673 0.42456642 0.97507736 1.0 B B12 1 0.75028273 0.92109556 0.47459091 1.0 B B13 1 0.24846541 0.16962398 0.78183140 1.0 B B14 1 0.25008176 0.67721928 0.26934574 1.0 B B15 1 0.24625191 0.75255785 0.70517580 1.0 B B16 1 0.24874107 0.24713023 0.19316630 1.0 B B17 1 0.24971727 0.07890444 0.52540909 1.0 B B18 1 0.24888327 0.57543358 0.02492264 1.0 Ir Ir19 1 0.74791761 0.58968366 0.68168355 1.0 Ir Ir20 1 0.74947359 0.08733677 0.16297780 1.0 Ir Ir21 1 0.74952959 0.70127897 0.96126541 1.0 Ir Ir22 1 0.75416709 0.19081553 0.45364650 1.0 Ir Ir23 1 0.74969665 0.20659018 0.87568574 1.0 Ir Ir24 1 0.75193186 0.72132410 0.36247656 1.0 Ir Ir25 1 0.25052641 0.91266323 0.83702220 1.0 Ir Ir26 1 0.25208239 0.41031634 0.31831645 1.0 Ir Ir27 1 0.24583291 0.80918447 0.54635350 1.0 Ir Ir28 1 0.25047041 0.29872103 0.03873459 1.0 Ir Ir29 1 0.24806814 0.27867590 0.63752344 1.0 Ir Ir30 1 0.25030335 0.79340982 0.12431426 1.0