# generated using pymatgen data_Tm2Al6(GaIr)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.44913336 _cell_length_b 7.44913205 _cell_length_c 9.46264665 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.78375643 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm2Al6(GaIr)3 _chemical_formula_sum 'Tm4 Al12 Ga6 Ir6' _cell_volume 455.71874475 _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 0.99867773 0.66984604 0.25000000 1.0 Tm Tm1 1 0.00132227 0.33015396 0.75000000 1.0 Tm Tm2 1 0.66984604 0.99867773 0.25000000 1.0 Tm Tm3 1 0.33015396 0.00132227 0.75000000 1.0 Al Al4 1 0.00277527 0.33418236 0.07183980 1.0 Al Al5 1 0.99722473 0.66581764 0.92816020 1.0 Al Al6 1 0.99722473 0.66581764 0.57183980 1.0 Al Al7 1 0.33418236 0.00277527 0.42816020 1.0 Al Al8 1 0.00277527 0.33418236 0.42816020 1.0 Al Al9 1 0.66581764 0.99722473 0.57183980 1.0 Al Al10 1 0.66581764 0.99722473 0.92816020 1.0 Al Al11 1 0.33418236 0.00277527 0.07183980 1.0 Al Al12 1 0.33502462 0.33502462 0.56079071 1.0 Al Al13 1 0.66497538 0.66497538 0.43920929 1.0 Al Al14 1 0.66497538 0.66497538 0.06079071 1.0 Al Al15 1 0.33502462 0.33502462 0.93920929 1.0 Ga Ga16 1 0.12807044 0.12807044 0.25000000 1.0 Ga Ga17 1 0.87192956 0.87192956 0.75000000 1.0 Ga Ga18 1 0.33737921 0.54677678 0.25000000 1.0 Ga Ga19 1 0.66262079 0.45322322 0.75000000 1.0 Ga Ga20 1 0.54677678 0.33737921 0.25000000 1.0 Ga Ga21 1 0.45322322 0.66262079 0.75000000 1.0 Ir Ir22 1 0.67197403 0.32802597 0.00000000 1.0 Ir Ir23 1 0.32802597 0.67197403 0.00000000 1.0 Ir Ir24 1 0.32802597 0.67197403 0.50000000 1.0 Ir Ir25 1 0.67197403 0.32802597 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