# generated using pymatgen data_Tb15Hf4ThIr12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.88125090 _cell_length_b 10.82918932 _cell_length_c 6.23918317 _cell_angle_alpha 89.90378116 _cell_angle_beta 89.68301963 _cell_angle_gamma 90.13232727 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb15Hf4ThIr12 _chemical_formula_sum 'Tb15 Hf4 Th1 Ir12' _cell_volume 735.18067148 _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 Tb Tb0 1 0.28821339 0.91184695 0.87642743 1.0 Tb Tb1 1 0.71014303 0.08475695 0.87914760 1.0 Tb Tb2 1 0.71022099 0.91222996 0.37788905 1.0 Tb Tb3 1 0.58382509 0.78773101 0.87885653 1.0 Tb Tb4 1 0.59273124 0.21212388 0.37873949 1.0 Tb Tb5 1 0.41464227 0.78332828 0.37919087 1.0 Tb Tb6 1 0.41703322 0.21366642 0.87639550 1.0 Tb Tb7 1 0.21041577 0.41307706 0.62015438 1.0 Tb Tb8 1 0.21175985 0.58364795 0.12229163 1.0 Tb Tb9 1 0.78904995 0.41783158 0.12192256 1.0 Tb Tb10 1 0.78908677 0.58811234 0.62205925 1.0 Tb Tb11 1 0.91621954 0.71345127 0.12408419 1.0 Tb Tb12 1 0.91235432 0.28947668 0.61906145 1.0 Tb Tb13 1 0.08644020 0.71136480 0.62135378 1.0 Tb Tb14 1 0.08173421 0.28934960 0.11690772 1.0 Hf Hf15 1 0.99506361 0.99865586 0.49845395 1.0 Hf Hf16 1 0.99942700 0.00063153 0.99752395 1.0 Hf Hf17 1 0.50078905 0.49908581 0.00540201 1.0 Hf Hf18 1 0.50207794 0.49818552 0.50524826 1.0 Th Th19 1 0.28913679 0.08855961 0.37920387 1.0 Ir Ir20 1 0.85781116 0.14195126 0.24687710 1.0 Ir Ir21 1 0.85773765 0.85781598 0.75108845 1.0 Ir Ir22 1 0.13994217 0.14271170 0.74036057 1.0 Ir Ir23 1 0.14378683 0.86205460 0.25185780 1.0 Ir Ir24 1 0.64446935 0.36026086 0.75233754 1.0 Ir Ir25 1 0.64124919 0.64225438 0.25219171 1.0 Ir Ir26 1 0.36081427 0.35486446 0.25577643 1.0 Ir Ir27 1 0.35853012 0.63855758 0.75364631 1.0 Ir Ir28 1 0.49663655 0.00021250 0.12243467 1.0 Ir Ir29 1 0.49844092 0.99914357 0.61772329 1.0 Ir Ir30 1 0.00012915 0.50134553 0.87739916 1.0 Ir Ir31 1 0.00008939 0.50171354 0.37799549 1.0