# generated using pymatgen data_Ti4Co6Si6Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.49612515 _cell_length_b 6.49612656 _cell_length_c 6.49612561 _cell_angle_alpha 109.47121769 _cell_angle_beta 109.47122208 _cell_angle_gamma 109.47123207 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti4Co6Si6Ir _chemical_formula_sum 'Ti4 Co6 Si6 Ir1' _cell_volume 211.02860607 _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 Ti Ti0 1 0.00000000 0.00000000 0.50000000 1.0 Ti Ti1 1 0.00000000 0.50000000 0.00000000 1.0 Ti Ti2 1 0.50000000 0.00000000 0.00000000 1.0 Ti Ti3 1 0.50000000 0.50000000 0.50000000 1.0 Co Co4 1 0.75000000 0.25000000 0.50000000 1.0 Co Co5 1 0.75000000 0.50000000 0.25000000 1.0 Co Co6 1 0.50000000 0.25000000 0.75000000 1.0 Co Co7 1 0.25000000 0.50000000 0.75000000 1.0 Co Co8 1 0.25000000 0.75000000 0.50000000 1.0 Co Co9 1 0.50000000 0.75000000 0.25000000 1.0 Si Si10 1 0.67388720 0.67388720 1.00000000 1.0 Si Si11 1 0.32611280 0.00000000 0.32611280 1.0 Si Si12 1 0.00000000 0.32611280 0.32611280 1.0 Si Si13 1 0.32611280 0.32611280 0.00000000 1.0 Si Si14 1 0.67388720 1.00000000 0.67388720 1.0 Si Si15 1 1.00000000 0.67388720 0.67388720 1.0 Ir Ir16 1 0.00000000 0.00000000 0.00000000 1.0