# generated using pymatgen data_SrY2(TiIr2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.66264148 _cell_length_b 5.66264217 _cell_length_c 15.76831568 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000752 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrY2(TiIr2)3 _chemical_formula_sum 'Sr2 Y4 Ti6 Ir12' _cell_volume 437.87897205 _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 Sr Sr0 1 0.33333300 0.66666700 0.75000000 1.0 Sr Sr1 1 0.66666700 0.33333300 0.25000000 1.0 Y Y2 1 0.33333300 0.66666700 0.54153480 1.0 Y Y3 1 0.66666700 0.33333300 0.45846520 1.0 Y Y4 1 0.66666700 0.33333300 0.04153480 1.0 Y Y5 1 0.33333300 0.66666700 0.95846520 1.0 Ti Ti6 1 0.00000000 0.00000000 0.25000000 1.0 Ti Ti7 1 0.00000000 0.00000000 0.75000000 1.0 Ti Ti8 1 0.33333300 0.66666700 0.25000000 1.0 Ti Ti9 1 0.66666700 0.33333300 0.75000000 1.0 Ti Ti10 1 0.00000000 0.00000000 0.00000000 1.0 Ti Ti11 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir12 1 0.16917091 0.33834082 0.12399157 1.0 Ir Ir13 1 0.83082909 0.66165918 0.87600843 1.0 Ir Ir14 1 0.66165918 0.83082909 0.12399157 1.0 Ir Ir15 1 0.83082909 0.66165918 0.62399157 1.0 Ir Ir16 1 0.33834082 0.16917091 0.87600843 1.0 Ir Ir17 1 0.16917091 0.33834082 0.37600843 1.0 Ir Ir18 1 0.16917091 0.83082909 0.12399157 1.0 Ir Ir19 1 0.33834082 0.16917091 0.62399157 1.0 Ir Ir20 1 0.83082909 0.16917091 0.87600843 1.0 Ir Ir21 1 0.66165918 0.83082909 0.37600843 1.0 Ir Ir22 1 0.83082909 0.16917091 0.62399157 1.0 Ir Ir23 1 0.16917091 0.83082909 0.37600843 1.0