# generated using pymatgen data_Tm17Hf2InIr12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.64326106 _cell_length_b 10.64326106 _cell_length_c 6.18034430 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm17Hf2InIr12 _chemical_formula_sum 'Tm17 Hf2 In1 Ir12' _cell_volume 700.10325816 _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 Tm Tm0 1 0.28466589 0.08198851 0.37894849 1.0 Tm Tm1 1 0.29193337 0.91173557 0.87844597 1.0 Tm Tm2 1 0.70806663 0.08826443 0.87844597 1.0 Tm Tm3 1 0.71533411 0.91801149 0.37894849 1.0 Tm Tm4 1 0.58734876 0.78941616 0.87961092 1.0 Tm Tm5 1 0.58528883 0.21055599 0.37558790 1.0 Tm Tm6 1 0.41471117 0.78944401 0.37558790 1.0 Tm Tm7 1 0.41265124 0.21058384 0.87961092 1.0 Tm Tm8 1 0.21055599 0.41471117 0.62441210 1.0 Tm Tm9 1 0.21058384 0.58734876 0.12038908 1.0 Tm Tm10 1 0.78941616 0.41265124 0.12038908 1.0 Tm Tm11 1 0.78944401 0.58528883 0.62441210 1.0 Tm Tm12 1 0.91173557 0.70806663 0.12155403 1.0 Tm Tm13 1 0.91801149 0.28466589 0.62105151 1.0 Tm Tm14 1 0.08198851 0.71533411 0.62105151 1.0 Tm Tm15 1 0.08826443 0.29193337 0.12155403 1.0 Tm Tm16 1 0.00000000 0.00000000 0.00000000 1.0 Hf Hf17 1 0.50000000 0.50000000 0.00000000 1.0 Hf Hf18 1 0.50000000 0.50000000 0.50000000 1.0 In In19 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir20 1 0.84407881 0.15867992 0.24343042 1.0 Ir Ir21 1 0.84132008 0.84407881 0.75656958 1.0 Ir Ir22 1 0.15867992 0.15592119 0.75656958 1.0 Ir Ir23 1 0.15592119 0.84132008 0.24343042 1.0 Ir Ir24 1 0.64381789 0.35699164 0.74701083 1.0 Ir Ir25 1 0.64300836 0.64381789 0.25298917 1.0 Ir Ir26 1 0.35699164 0.35618211 0.25298917 1.0 Ir Ir27 1 0.35618211 0.64300836 0.74701083 1.0 Ir Ir28 1 0.50000000 0.00000000 0.12793565 1.0 Ir Ir29 1 0.50000000 0.00000000 0.62351195 1.0 Ir Ir30 1 0.00000000 0.50000000 0.87206435 1.0 Ir Ir31 1 0.00000000 0.50000000 0.37648805 1.0