# generated using pymatgen data_Sr2SiIrI _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24057354 _cell_length_b 4.24057262 _cell_length_c 18.42287001 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999940 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2SiIrI _chemical_formula_sum 'Sr4 Si2 Ir2 I2' _cell_volume 286.90427933 _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 0.00000000 0.00000000 0.38815169 1.0 Sr Sr1 1 0.00000000 0.00000000 0.88815169 1.0 Sr Sr2 1 0.00000000 0.00000000 0.61147638 1.0 Sr Sr3 1 0.00000000 0.00000000 0.11147638 1.0 Si Si4 1 0.33333300 0.66666700 0.50038937 1.0 Si Si5 1 0.66666700 0.33333300 0.00038937 1.0 Ir Ir6 1 0.66666700 0.33333300 0.49916193 1.0 Ir Ir7 1 0.33333300 0.66666700 0.99916193 1.0 I I8 1 0.33333300 0.66666700 0.25082163 1.0 I I9 1 0.66666700 0.33333300 0.75082163 1.0