# generated using pymatgen data_Tm2(Ga3Ir)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.47447341 _cell_length_b 7.47447341 _cell_length_c 9.40988062 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.86243632 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm2(Ga3Ir)3 _chemical_formula_sum 'Tm4 Ga18 Ir6' _cell_volume 455.90703307 _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 0.99809037 0.66931594 0.75000000 1.0 Tm Tm1 1 0.00190963 0.33068406 0.25000000 1.0 Tm Tm2 1 0.66931594 0.99809037 0.75000000 1.0 Tm Tm3 1 0.33068406 0.00190963 0.25000000 1.0 Ga Ga4 1 0.12913928 0.12913928 0.75000000 1.0 Ga Ga5 1 0.87086072 0.87086072 0.25000000 1.0 Ga Ga6 1 0.00020488 0.33454645 0.57998116 1.0 Ga Ga7 1 -0.00020488 0.66545355 0.42001884 1.0 Ga Ga8 1 -0.00020488 0.66545355 0.07998116 1.0 Ga Ga9 1 0.33454645 0.00020488 0.92001884 1.0 Ga Ga10 1 0.00020488 0.33454645 0.92001884 1.0 Ga Ga11 1 0.66545355 -0.00020488 0.07998116 1.0 Ga Ga12 1 0.66545355 -0.00020488 0.42001884 1.0 Ga Ga13 1 0.33454645 0.00020488 0.57998116 1.0 Ga Ga14 1 0.33311404 0.33311404 0.06890999 1.0 Ga Ga15 1 0.66688596 0.66688596 0.93109001 1.0 Ga Ga16 1 0.66688596 0.66688596 0.56890999 1.0 Ga Ga17 1 0.33311404 0.33311404 0.43109001 1.0 Ga Ga18 1 0.33822565 0.54514638 0.75000000 1.0 Ga Ga19 1 0.66177435 0.45485362 0.25000000 1.0 Ga Ga20 1 0.54514638 0.33822565 0.75000000 1.0 Ga Ga21 1 0.45485362 0.66177435 0.25000000 1.0 Ir Ir22 1 0.67161584 0.32838416 0.50000000 1.0 Ir Ir23 1 0.32838416 0.67161584 0.50000000 1.0 Ir Ir24 1 0.32838416 0.67161584 -0.00000000 1.0 Ir Ir25 1 0.67161584 0.32838416 -0.00000000 1.0 Ir Ir26 1 -0.00000000 0.00000000 0.50000000 1.0 Ir Ir27 1 -0.00000000 0.00000000 -0.00000000 1.0