# generated using pymatgen data_Tb4TmIr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.84065155 _cell_length_b 10.84065155 _cell_length_c 6.35555379 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb4TmIr3 _chemical_formula_sum 'Tb16 Tm4 Ir12' _cell_volume 746.90294026 _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 0.29041174 0.08758504 0.38336162 1.0 Tb Tb1 1 0.29041174 0.91241496 0.88336162 1.0 Tb Tb2 1 0.70958826 0.08758504 0.88336162 1.0 Tb Tb3 1 0.70958826 0.91241496 0.38336162 1.0 Tb Tb4 1 0.58758504 0.79041174 0.88336162 1.0 Tb Tb5 1 0.58758504 0.20958826 0.38336162 1.0 Tb Tb6 1 0.41241496 0.79041174 0.38336162 1.0 Tb Tb7 1 0.41241496 0.20958826 0.88336162 1.0 Tb Tb8 1 0.20958826 0.41241496 0.61663838 1.0 Tb Tb9 1 0.20958826 0.58758504 0.11663838 1.0 Tb Tb10 1 0.79041174 0.41241496 0.11663838 1.0 Tb Tb11 1 0.79041174 0.58758504 0.61663838 1.0 Tb Tb12 1 0.91241496 0.70958826 0.11663838 1.0 Tb Tb13 1 0.91241496 0.29041174 0.61663838 1.0 Tb Tb14 1 0.08758504 0.70958826 0.61663838 1.0 Tb Tb15 1 0.08758504 0.29041174 0.11663838 1.0 Tm Tm16 1 0.00000000 0.00000000 0.50000000 1.0 Tm Tm17 1 0.00000000 0.00000000 0.00000000 1.0 Tm Tm18 1 0.50000000 0.50000000 0.00000000 1.0 Tm Tm19 1 0.50000000 0.50000000 0.50000000 1.0 Ir Ir20 1 0.84860741 0.15139259 0.25000000 1.0 Ir Ir21 1 0.84860741 0.84860741 0.75000000 1.0 Ir Ir22 1 0.15139259 0.15139259 0.75000000 1.0 Ir Ir23 1 0.15139259 0.84860741 0.25000000 1.0 Ir Ir24 1 0.65139259 0.34860741 0.75000000 1.0 Ir Ir25 1 0.65139259 0.65139259 0.25000000 1.0 Ir Ir26 1 0.34860741 0.34860741 0.25000000 1.0 Ir Ir27 1 0.34860741 0.65139259 0.75000000 1.0 Ir Ir28 1 0.50000000 0.00000000 0.12813138 1.0 Ir Ir29 1 0.50000000 0.00000000 0.62813138 1.0 Ir Ir30 1 0.00000000 0.50000000 0.87186862 1.0 Ir Ir31 1 0.00000000 0.50000000 0.37186862 1.0