# generated using pymatgen data_Tb6Ti4Al12Ir7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.94881234 _cell_length_b 8.94881288 _cell_length_c 8.94881326 _cell_angle_alpha 60.00000225 _cell_angle_beta 60.00000025 _cell_angle_gamma 60.00000637 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb6Ti4Al12Ir7 _chemical_formula_sum 'Tb6 Ti4 Al12 Ir7' _cell_volume 506.73546946 _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 0.70419392 0.70419392 0.29580608 1.0 Tb Tb1 1 0.29580608 0.70419392 0.29580608 1.0 Tb Tb2 1 0.70419392 0.29580608 0.29580608 1.0 Tb Tb3 1 0.29580608 0.29580608 0.70419392 1.0 Tb Tb4 1 0.70419392 0.29580608 0.70419392 1.0 Tb Tb5 1 0.29580608 0.70419392 0.70419392 1.0 Ti Ti6 1 0.88054275 0.88054275 0.35837276 1.0 Ti Ti7 1 0.88054275 0.35837276 0.88054275 1.0 Ti Ti8 1 0.35837276 0.88054275 0.88054275 1.0 Ti Ti9 1 0.88054275 0.88054275 0.88054275 1.0 Al Al10 1 0.11981025 0.11981025 0.64056924 1.0 Al Al11 1 0.11981025 0.64056924 0.11981025 1.0 Al Al12 1 0.64056924 0.11981025 0.11981025 1.0 Al Al13 1 0.11981025 0.11981025 0.11981025 1.0 Al Al14 1 0.67034481 0.67034481 0.98896557 1.0 Al Al15 1 0.67034481 0.98896557 0.67034481 1.0 Al Al16 1 0.98896557 0.67034481 0.67034481 1.0 Al Al17 1 0.67034481 0.67034481 0.67034481 1.0 Al Al18 1 0.32772905 0.32772905 0.01681585 1.0 Al Al19 1 0.32772905 0.01681585 0.32772905 1.0 Al Al20 1 0.01681585 0.32772905 0.32772905 1.0 Al Al21 1 0.32772905 0.32772905 0.32772905 1.0 Ir Ir22 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir23 1 0.99862846 0.99862846 0.50137154 1.0 Ir Ir24 1 0.50137154 0.99862846 0.50137154 1.0 Ir Ir25 1 0.99862846 0.50137154 0.50137154 1.0 Ir Ir26 1 0.50137154 0.50137154 0.99862846 1.0 Ir Ir27 1 0.99862846 0.50137154 0.99862846 1.0 Ir Ir28 1 0.50137154 0.99862846 0.99862846 1.0