# generated using pymatgen data_Zr6Ti4Al12Ir7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.74397940 _cell_length_b 8.74398004 _cell_length_c 8.74398001 _cell_angle_alpha 60.00000011 _cell_angle_beta 59.99999769 _cell_angle_gamma 60.00000302 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6Ti4Al12Ir7 _chemical_formula_sum 'Zr6 Ti4 Al12 Ir7' _cell_volume 472.72921621 _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 Zr Zr0 1 0.69112591 0.69112591 0.30887409 1.0 Zr Zr1 1 0.30887409 0.69112591 0.30887409 1.0 Zr Zr2 1 0.69112591 0.30887409 0.30887409 1.0 Zr Zr3 1 0.30887409 0.30887409 0.69112591 1.0 Zr Zr4 1 0.69112591 0.30887409 0.69112591 1.0 Zr Zr5 1 0.30887409 0.69112591 0.69112591 1.0 Ti Ti6 1 0.88010983 0.88010983 0.35967152 1.0 Ti Ti7 1 0.88010983 0.35967152 0.88010983 1.0 Ti Ti8 1 0.35967152 0.88010983 0.88010983 1.0 Ti Ti9 1 0.88010983 0.88010983 0.88010983 1.0 Al Al10 1 0.12042948 0.12042948 0.63871157 1.0 Al Al11 1 0.12042948 0.63871157 0.12042948 1.0 Al Al12 1 0.63871157 0.12042948 0.12042948 1.0 Al Al13 1 0.12042948 0.12042948 0.12042948 1.0 Al Al14 1 0.66286979 0.66286979 0.01138964 1.0 Al Al15 1 0.66286979 0.01138964 0.66286979 1.0 Al Al16 1 0.01138964 0.66286979 0.66286979 1.0 Al Al17 1 0.66286979 0.66286979 0.66286979 1.0 Al Al18 1 0.33550589 0.33550589 0.99348432 1.0 Al Al19 1 0.33550589 0.99348432 0.33550589 1.0 Al Al20 1 0.99348432 0.33550589 0.33550589 1.0 Al Al21 1 0.33550589 0.33550589 0.33550589 1.0 Ir Ir22 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir23 1 0.99796659 0.99796659 0.50203341 1.0 Ir Ir24 1 0.50203341 0.99796659 0.50203341 1.0 Ir Ir25 1 0.99796659 0.50203341 0.50203341 1.0 Ir Ir26 1 0.50203341 0.50203341 0.99796659 1.0 Ir Ir27 1 0.99796659 0.50203341 0.99796659 1.0 Ir Ir28 1 0.50203341 0.99796659 0.99796659 1.0