# generated using pymatgen data_Nd6Ti4Al12Ir7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.05185763 _cell_length_b 9.05185845 _cell_length_c 9.05185825 _cell_angle_alpha 60.00000073 _cell_angle_beta 59.99999773 _cell_angle_gamma 60.00000566 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd6Ti4Al12Ir7 _chemical_formula_sum 'Nd6 Ti4 Al12 Ir7' _cell_volume 524.44292251 _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 Nd Nd0 1 0.70290506 0.70290506 0.29709494 1.0 Nd Nd1 1 0.29709494 0.70290506 0.29709494 1.0 Nd Nd2 1 0.70290506 0.29709494 0.29709494 1.0 Nd Nd3 1 0.29709494 0.29709494 0.70290506 1.0 Nd Nd4 1 0.70290506 0.29709494 0.70290506 1.0 Nd Nd5 1 0.29709494 0.70290506 0.70290506 1.0 Ti Ti6 1 0.88074543 0.88074544 0.35776469 1.0 Ti Ti7 1 0.88074544 0.35776469 0.88074544 1.0 Ti Ti8 1 0.35776469 0.88074544 0.88074543 1.0 Ti Ti9 1 0.88074543 0.88074544 0.88074544 1.0 Al Al10 1 0.11932091 0.11932091 0.64203826 1.0 Al Al11 1 0.11932091 0.64203826 0.11932091 1.0 Al Al12 1 0.64203826 0.11932091 0.11932091 1.0 Al Al13 1 0.11932091 0.11932091 0.11932091 1.0 Al Al14 1 0.67222475 0.67222475 0.98332476 1.0 Al Al15 1 0.67222475 0.98332476 0.67222475 1.0 Al Al16 1 0.98332476 0.67222475 0.67222475 1.0 Al Al17 1 0.67222475 0.67222475 0.67222475 1.0 Al Al18 1 0.32599470 0.32599470 0.02201689 1.0 Al Al19 1 0.32599470 0.02201689 0.32599470 1.0 Al Al20 1 0.02201689 0.32599470 0.32599470 1.0 Al Al21 1 0.32599470 0.32599470 0.32599470 1.0 Ir Ir22 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir23 1 0.99820580 0.99820580 0.50179420 1.0 Ir Ir24 1 0.50179420 0.99820580 0.50179420 1.0 Ir Ir25 1 0.99820580 0.50179420 0.50179420 1.0 Ir Ir26 1 0.50179420 0.50179420 0.99820580 1.0 Ir Ir27 1 0.99820580 0.50179420 0.99820580 1.0 Ir Ir28 1 0.50179420 0.99820580 0.99820580 1.0