# generated using pymatgen data_Tm2(Al3Ir)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.47949941 _cell_length_b 7.47949941 _cell_length_c 9.37394760 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.50165286 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm2(Al3Ir)3 _chemical_formula_sum 'Tm4 Al18 Ir6' _cell_volume 456.41223016 _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 0.99500291 0.67220502 0.25000000 1.0 Tm Tm1 1 0.00499709 0.32779498 0.75000000 1.0 Tm Tm2 1 0.67220502 0.99500291 0.25000000 1.0 Tm Tm3 1 0.32779498 0.00499709 0.75000000 1.0 Al Al4 1 0.12976721 0.12976721 0.25000000 1.0 Al Al5 1 0.87023279 0.87023279 0.75000000 1.0 Al Al6 1 0.00136698 0.33553916 0.07453972 1.0 Al Al7 1 0.99863302 0.66446084 0.92546028 1.0 Al Al8 1 0.99863302 0.66446084 0.57453972 1.0 Al Al9 1 0.33553916 0.00136698 0.42546028 1.0 Al Al10 1 0.00136698 0.33553916 0.42546028 1.0 Al Al11 1 0.66446084 0.99863302 0.57453972 1.0 Al Al12 1 0.66446084 0.99863302 0.92546028 1.0 Al Al13 1 0.33553916 0.00136698 0.07453972 1.0 Al Al14 1 0.33349913 0.33349913 0.55241725 1.0 Al Al15 1 0.66650087 0.66650087 0.44758275 1.0 Al Al16 1 0.66650087 0.66650087 0.05241725 1.0 Al Al17 1 0.33349913 0.33349913 0.94758275 1.0 Al Al18 1 0.33945556 0.54859973 0.25000000 1.0 Al Al19 1 0.66054444 0.45140027 0.75000000 1.0 Al Al20 1 0.54859973 0.33945556 0.25000000 1.0 Al Al21 1 0.45140027 0.66054444 0.75000000 1.0 Ir Ir22 1 0.67239753 0.32760247 0.00000000 1.0 Ir Ir23 1 0.32760247 0.67239753 0.00000000 1.0 Ir Ir24 1 0.32760247 0.67239753 0.50000000 1.0 Ir Ir25 1 0.67239753 0.32760247 0.50000000 1.0 Ir Ir26 1 -0.00000000 -0.00000000 0.00000000 1.0 Ir Ir27 1 -0.00000000 -0.00000000 0.50000000 1.0