# generated using pymatgen data_Sc4Ga3As3Ir7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.06338718 _cell_length_b 7.06338782 _cell_length_c 7.09364287 _cell_angle_alpha 109.55800688 _cell_angle_beta 109.55800872 _cell_angle_gamma 109.38429942 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc4Ga3As3Ir7 _chemical_formula_sum 'Sc4 Ga3 As3 Ir7' _cell_volume 272.14927708 _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 0.00000000 0.00000000 0.52324412 1.0 Sc Sc1 1 1.00000000 0.49195907 0.00727581 1.0 Sc Sc2 1 0.49195907 1.00000000 0.00727581 1.0 Sc Sc3 1 0.50804093 0.50804093 0.51531674 1.0 Ga Ga4 1 0.70653584 0.70653584 0.01158304 1.0 Ga Ga5 1 0.29346416 0.00000000 0.30504720 1.0 Ga Ga6 1 1.00000000 0.29346416 0.30504720 1.0 As As7 1 0.32732947 0.32732947 0.00592005 1.0 As As8 1 0.67267053 1.00000000 0.67859057 1.0 As As9 1 0.00000000 0.67267053 0.67859057 1.0 Ir Ir10 1 0.74520360 0.24591081 0.49571957 1.0 Ir Ir11 1 0.75408919 0.49929279 0.24980876 1.0 Ir Ir12 1 0.50070721 0.25479640 0.75051598 1.0 Ir Ir13 1 0.25479640 0.50070721 0.75051598 1.0 Ir Ir14 1 0.24591081 0.74520360 0.49571957 1.0 Ir Ir15 1 0.49929279 0.75408919 0.24980876 1.0 Ir Ir16 1 1.00000000 1.00000000 0.97002125 1.0