# generated using pymatgen data_Sr3(GaIr)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.11731257 _cell_length_b 8.11566162 _cell_length_c 14.03521895 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr3(GaIr)2 _chemical_formula_sum 'Sr12 Ga8 Ir8' _cell_volume 696.79302449 _cell_formula_units_Z 4 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 0.63329088 0.23534393 0.25000000 1.0 Sr Sr1 1 0.36670912 0.76465607 0.75000000 1.0 Sr Sr2 1 0.36670912 0.73534393 0.25000000 1.0 Sr Sr3 1 0.63329088 0.26465607 0.75000000 1.0 Sr Sr4 1 0.13992246 0.39397529 0.09739697 1.0 Sr Sr5 1 0.86007754 0.60602471 0.90260303 1.0 Sr Sr6 1 0.86007754 0.60602471 0.59739697 1.0 Sr Sr7 1 0.86007754 0.89397529 0.40260303 1.0 Sr Sr8 1 0.13992246 0.39397529 0.40260303 1.0 Sr Sr9 1 0.13992246 0.10602471 0.59739697 1.0 Sr Sr10 1 0.13992246 0.10602471 0.90260303 1.0 Sr Sr11 1 0.86007754 0.89397529 0.09739697 1.0 Ga Ga12 1 0.18366676 0.08233203 0.25000000 1.0 Ga Ga13 1 0.81633324 0.91766797 0.75000000 1.0 Ga Ga14 1 0.81633324 0.58233203 0.25000000 1.0 Ga Ga15 1 0.18366676 0.41766797 0.75000000 1.0 Ga Ga16 1 0.58350799 0.25000000 0.00000000 1.0 Ga Ga17 1 0.41649201 0.75000000 0.00000000 1.0 Ga Ga18 1 0.41649201 0.75000000 0.50000000 1.0 Ga Ga19 1 0.58350799 0.25000000 0.50000000 1.0 Ir Ir20 1 0.36286244 0.02384013 0.09162771 1.0 Ir Ir21 1 0.63713756 0.97615987 0.90837229 1.0 Ir Ir22 1 0.63713756 0.97615987 0.59162771 1.0 Ir Ir23 1 0.63713756 0.52384013 0.40837229 1.0 Ir Ir24 1 0.36286244 0.02384013 0.40837229 1.0 Ir Ir25 1 0.36286244 0.47615987 0.59162771 1.0 Ir Ir26 1 0.36286244 0.47615987 0.90837229 1.0 Ir Ir27 1 0.63713756 0.52384013 0.09162771 1.0