# generated using pymatgen data_Hf4In(B7Ir6)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.40761402 _cell_length_b 7.84612013 _cell_length_c 13.57508588 _cell_angle_alpha 90.03528206 _cell_angle_beta 90.03535726 _cell_angle_gamma 90.13344309 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf4In(B7Ir6)2 _chemical_formula_sum 'Hf4 In1 B14 Ir12' _cell_volume 362.94982572 _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 0.25011546 0.49591446 0.83729450 1.0 Hf Hf1 1 0.25333038 0.00351026 0.32870140 1.0 Hf Hf2 1 0.74666962 0.99648974 0.67129860 1.0 Hf Hf3 1 0.74988454 0.50408554 0.16270550 1.0 In In4 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 0.74690215 0.32314340 0.73054047 1.0 B B8 1 0.75038701 0.83071398 0.21848776 1.0 B B9 1 0.75098501 0.75269518 0.80652190 1.0 B B10 1 0.75192204 0.24730217 0.29545553 1.0 B B11 1 0.75112027 0.42485130 0.97471758 1.0 B B12 1 0.74701099 0.92032669 0.47443420 1.0 B B13 1 0.24961299 0.16928602 0.78151224 1.0 B B14 1 0.25309785 0.67685660 0.26945953 1.0 B B15 1 0.24807796 0.75269783 0.70454447 1.0 B B16 1 0.24901499 0.24730482 0.19347810 1.0 B B17 1 0.25298901 0.07967331 0.52556580 1.0 B B18 1 0.24887973 0.57514870 0.02528242 1.0 Ir Ir19 1 0.74950267 0.58999353 0.68279719 1.0 Ir Ir20 1 0.74922185 0.08672158 0.16168365 1.0 Ir Ir21 1 0.74974411 0.70108390 0.96118844 1.0 Ir Ir22 1 0.75713096 0.18990029 0.45362504 1.0 Ir Ir23 1 0.75057072 0.20538509 0.87682846 1.0 Ir Ir24 1 0.75466684 0.72204124 0.36151635 1.0 Ir Ir25 1 0.25077815 0.91327842 0.83831635 1.0 Ir Ir26 1 0.25049733 0.41000647 0.31720281 1.0 Ir Ir27 1 0.24286904 0.81009971 0.54637496 1.0 Ir Ir28 1 0.25025589 0.29891610 0.03881156 1.0 Ir Ir29 1 0.24533316 0.27795876 0.63848365 1.0 Ir Ir30 1 0.24942928 0.79461491 0.12317154 1.0