# generated using pymatgen data_Tm6Ti4Al12Ir7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.88466514 _cell_length_b 8.88466576 _cell_length_c 8.88466573 _cell_angle_alpha 60.00000012 _cell_angle_beta 59.99999780 _cell_angle_gamma 60.00000297 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm6Ti4Al12Ir7 _chemical_formula_sum 'Tm6 Ti4 Al12 Ir7' _cell_volume 495.91615483 _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 Tm Tm0 1 0.70416512 0.70416512 0.29583488 1.0 Tm Tm1 1 0.29583488 0.70416512 0.29583488 1.0 Tm Tm2 1 0.70416512 0.29583488 0.29583488 1.0 Tm Tm3 1 0.29583488 0.29583488 0.70416512 1.0 Tm Tm4 1 0.70416512 0.29583488 0.70416512 1.0 Tm Tm5 1 0.29583488 0.70416512 0.70416512 1.0 Ti Ti6 1 0.88044046 0.88044046 0.35867863 1.0 Ti Ti7 1 0.88044046 0.35867863 0.88044046 1.0 Ti Ti8 1 0.35867863 0.88044046 0.88044046 1.0 Ti Ti9 1 0.88044046 0.88044046 0.88044046 1.0 Al Al10 1 0.11996418 0.11996418 0.64010845 1.0 Al Al11 1 0.11996418 0.64010845 0.11996418 1.0 Al Al12 1 0.64010845 0.11996418 0.11996418 1.0 Al Al13 1 0.11996418 0.11996418 0.11996418 1.0 Al Al14 1 0.66913214 0.66913214 0.99260359 1.0 Al Al15 1 0.66913214 0.99260359 0.66913214 1.0 Al Al16 1 0.99260359 0.66913214 0.66913214 1.0 Al Al17 1 0.66913214 0.66913214 0.66913214 1.0 Al Al18 1 0.32871400 0.32871400 0.01386101 1.0 Al Al19 1 0.32871400 0.01386101 0.32871400 1.0 Al Al20 1 0.01386101 0.32871400 0.32871400 1.0 Al Al21 1 0.32871400 0.32871400 0.32871400 1.0 Ir Ir22 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir23 1 0.99863483 0.99863483 0.50136517 1.0 Ir Ir24 1 0.50136517 0.99863483 0.50136517 1.0 Ir Ir25 1 0.99863483 0.50136517 0.50136517 1.0 Ir Ir26 1 0.50136517 0.50136517 0.99863483 1.0 Ir Ir27 1 0.99863483 0.50136517 0.99863483 1.0 Ir Ir28 1 0.50136517 0.99863483 0.99863483 1.0