# generated using pymatgen data_Tb4ZrIr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.83449674 _cell_length_b 10.83449674 _cell_length_c 6.26038148 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb4ZrIr3 _chemical_formula_sum 'Tb16 Zr4 Ir12' _cell_volume 734.88314067 _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 Tb Tb0 1 0.28940912 0.08688778 0.37714576 1.0 Tb Tb1 1 0.28940912 0.91311222 0.87714576 1.0 Tb Tb2 1 0.71059088 0.08688778 0.87714576 1.0 Tb Tb3 1 0.71059088 0.91311222 0.37714576 1.0 Tb Tb4 1 0.58688778 0.78940912 0.87714576 1.0 Tb Tb5 1 0.58688778 0.21059088 0.37714576 1.0 Tb Tb6 1 0.41311222 0.78940912 0.37714576 1.0 Tb Tb7 1 0.41311222 0.21059088 0.87714576 1.0 Tb Tb8 1 0.21059088 0.41311222 0.62285424 1.0 Tb Tb9 1 0.21059088 0.58688778 0.12285424 1.0 Tb Tb10 1 0.78940912 0.41311222 0.12285424 1.0 Tb Tb11 1 0.78940912 0.58688778 0.62285424 1.0 Tb Tb12 1 0.91311222 0.71059088 0.12285424 1.0 Tb Tb13 1 0.91311222 0.28940912 0.62285424 1.0 Tb Tb14 1 0.08688778 0.71059088 0.62285424 1.0 Tb Tb15 1 0.08688778 0.28940912 0.12285424 1.0 Zr Zr16 1 0.00000000 0.00000000 0.50000000 1.0 Zr Zr17 1 0.00000000 0.00000000 0.00000000 1.0 Zr Zr18 1 0.50000000 0.50000000 0.00000000 1.0 Zr Zr19 1 0.50000000 0.50000000 0.50000000 1.0 Ir Ir20 1 0.85664367 0.14335633 0.25000000 1.0 Ir Ir21 1 0.85664367 0.85664367 0.75000000 1.0 Ir Ir22 1 0.14335633 0.14335633 0.75000000 1.0 Ir Ir23 1 0.14335633 0.85664367 0.25000000 1.0 Ir Ir24 1 0.64335633 0.35664367 0.75000000 1.0 Ir Ir25 1 0.64335633 0.64335633 0.25000000 1.0 Ir Ir26 1 0.35664367 0.35664367 0.25000000 1.0 Ir Ir27 1 0.35664367 0.64335633 0.75000000 1.0 Ir Ir28 1 0.50000000 0.00000000 0.12051274 1.0 Ir Ir29 1 0.50000000 0.00000000 0.62051274 1.0 Ir Ir30 1 0.00000000 0.50000000 0.87948726 1.0 Ir Ir31 1 0.00000000 0.50000000 0.37948726 1.0