# generated using pymatgen data_Tm8HfZrIr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.64664990 _cell_length_b 10.64664990 _cell_length_c 6.17197426 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm8HfZrIr6 _chemical_formula_sum 'Tm16 Hf2 Zr2 Ir12' _cell_volume 699.60040571 _cell_formula_units_Z 2 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 0.29011206 0.08649387 0.37319750 1.0 Tm Tm1 1 0.29011206 0.91350613 0.87319750 1.0 Tm Tm2 1 0.70988794 0.08649387 0.87319750 1.0 Tm Tm3 1 0.70988794 0.91350613 0.37319750 1.0 Tm Tm4 1 0.58658401 0.78957597 0.87396156 1.0 Tm Tm5 1 0.58658401 0.21042403 0.37396156 1.0 Tm Tm6 1 0.41341599 0.78957597 0.37396156 1.0 Tm Tm7 1 0.41341599 0.21042403 0.87396156 1.0 Tm Tm8 1 0.21042403 0.41341599 0.62603844 1.0 Tm Tm9 1 0.21042403 0.58658401 0.12603844 1.0 Tm Tm10 1 0.78957597 0.41341599 0.12603844 1.0 Tm Tm11 1 0.78957597 0.58658401 0.62603844 1.0 Tm Tm12 1 0.91350613 0.70988794 0.12680250 1.0 Tm Tm13 1 0.91350613 0.29011206 0.62680250 1.0 Tm Tm14 1 0.08649387 0.70988794 0.62680250 1.0 Tm Tm15 1 0.08649387 0.29011206 0.12680250 1.0 Hf Hf16 1 0.50000000 0.50000000 0.00000000 1.0 Hf Hf17 1 0.50000000 0.50000000 0.50000000 1.0 Zr Zr18 1 0.00000000 0.00000000 0.50000000 1.0 Zr Zr19 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir20 1 0.85285746 0.14714254 0.25000000 1.0 Ir Ir21 1 0.85285746 0.85285746 0.75000000 1.0 Ir Ir22 1 0.14714254 0.14714254 0.75000000 1.0 Ir Ir23 1 0.14714254 0.85285746 0.25000000 1.0 Ir Ir24 1 0.64456758 0.35543242 0.75000000 1.0 Ir Ir25 1 0.64456758 0.64456758 0.25000000 1.0 Ir Ir26 1 0.35543242 0.35543242 0.25000000 1.0 Ir Ir27 1 0.35543242 0.64456758 0.75000000 1.0 Ir Ir28 1 0.50000000 0.00000000 0.11996005 1.0 Ir Ir29 1 0.50000000 0.00000000 0.61996005 1.0 Ir Ir30 1 0.00000000 0.50000000 0.88003995 1.0 Ir Ir31 1 0.00000000 0.50000000 0.38003995 1.0