# generated using pymatgen data_Sc6Ti8Ga8Ir7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.81950731 _cell_length_b 8.81950739 _cell_length_c 8.81950714 _cell_angle_alpha 59.99999723 _cell_angle_beta 59.99999697 _cell_angle_gamma 59.99999825 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc6Ti8Ga8Ir7 _chemical_formula_sum 'Sc6 Ti8 Ga8 Ir7' _cell_volume 485.08511288 _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 Sc Sc0 1 0.69594970 0.69594970 0.30405030 1.0 Sc Sc1 1 0.30405030 0.69594970 0.30405030 1.0 Sc Sc2 1 0.69594970 0.30405030 0.30405030 1.0 Sc Sc3 1 0.30405030 0.30405030 0.69594970 1.0 Sc Sc4 1 0.69594970 0.30405030 0.69594970 1.0 Sc Sc5 1 0.30405030 0.69594970 0.69594970 1.0 Ti Ti6 1 0.87716933 0.87716933 0.36849100 1.0 Ti Ti7 1 0.87716933 0.36849100 0.87716933 1.0 Ti Ti8 1 0.36849100 0.87716933 0.87716933 1.0 Ti Ti9 1 0.87716933 0.87716933 0.87716933 1.0 Ti Ti10 1 0.12283067 0.12283067 0.63150900 1.0 Ti Ti11 1 0.12283067 0.63150900 0.12283067 1.0 Ti Ti12 1 0.63150900 0.12283067 0.12283067 1.0 Ti Ti13 1 0.12283067 0.12283067 0.12283067 1.0 Ga Ga14 1 0.65997771 0.65997771 0.02006686 1.0 Ga Ga15 1 0.65997771 0.02006686 0.65997771 1.0 Ga Ga16 1 0.02006686 0.65997771 0.65997771 1.0 Ga Ga17 1 0.65997771 0.65997771 0.65997771 1.0 Ga Ga18 1 0.34002229 0.34002229 0.97993314 1.0 Ga Ga19 1 0.34002229 0.97993314 0.34002229 1.0 Ga Ga20 1 0.97993314 0.34002229 0.34002229 1.0 Ga Ga21 1 0.34002229 0.34002229 0.34002229 1.0 Ir Ir22 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir23 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir24 1 0.50000000 0.00000000 0.50000000 1.0 Ir Ir25 1 0.00000000 0.50000000 0.50000000 1.0 Ir Ir26 1 0.50000000 0.50000000 0.00000000 1.0 Ir Ir27 1 0.00000000 0.50000000 0.00000000 1.0 Ir Ir28 1 0.50000000 0.00000000 0.00000000 1.0