# generated using pymatgen data_Tm4HfIr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.64291234 _cell_length_b 10.64291234 _cell_length_c 6.16458788 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm4HfIr3 _chemical_formula_sum 'Tm16 Hf4 Ir12' _cell_volume 698.27262783 _cell_formula_units_Z 4 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 Tm Tm0 1 0.28950827 0.08605806 0.37443268 1.0 Tm Tm1 1 0.28950827 0.91394194 0.87443268 1.0 Tm Tm2 1 0.71049173 0.08605806 0.87443268 1.0 Tm Tm3 1 0.71049173 0.91394194 0.37443268 1.0 Tm Tm4 1 0.58605806 0.78950827 0.87443268 1.0 Tm Tm5 1 0.58605806 0.21049173 0.37443268 1.0 Tm Tm6 1 0.41394194 0.78950827 0.37443268 1.0 Tm Tm7 1 0.41394194 0.21049173 0.87443268 1.0 Tm Tm8 1 0.21049173 0.41394194 0.62556732 1.0 Tm Tm9 1 0.21049173 0.58605806 0.12556732 1.0 Tm Tm10 1 0.78950827 0.41394194 0.12556732 1.0 Tm Tm11 1 0.78950827 0.58605806 0.62556732 1.0 Tm Tm12 1 0.91394194 0.71049173 0.12556732 1.0 Tm Tm13 1 0.91394194 0.28950827 0.62556732 1.0 Tm Tm14 1 0.08605806 0.71049173 0.62556732 1.0 Tm Tm15 1 0.08605806 0.28950827 0.12556732 1.0 Hf Hf16 1 0.00000000 0.00000000 0.50000000 1.0 Hf Hf17 1 0.00000000 0.00000000 0.00000000 1.0 Hf Hf18 1 0.50000000 0.50000000 0.00000000 1.0 Hf Hf19 1 0.50000000 0.50000000 0.50000000 1.0 Ir Ir20 1 0.85533656 0.14466344 0.25000000 1.0 Ir Ir21 1 0.85533656 0.85533656 0.75000000 1.0 Ir Ir22 1 0.14466344 0.14466344 0.75000000 1.0 Ir Ir23 1 0.14466344 0.85533656 0.25000000 1.0 Ir Ir24 1 0.64466344 0.35533656 0.75000000 1.0 Ir Ir25 1 0.64466344 0.64466344 0.25000000 1.0 Ir Ir26 1 0.35533656 0.35533656 0.25000000 1.0 Ir Ir27 1 0.35533656 0.64466344 0.75000000 1.0 Ir Ir28 1 0.50000000 0.00000000 0.12074869 1.0 Ir Ir29 1 0.50000000 0.00000000 0.62074869 1.0 Ir Ir30 1 0.00000000 0.50000000 0.87925131 1.0 Ir Ir31 1 0.00000000 0.50000000 0.37925131 1.0