# generated using pymatgen data_Sr2Ir2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30292223 _cell_length_b 4.30292077 _cell_length_c 16.80623141 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000369 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2Ir2Cl _chemical_formula_sum 'Sr4 Ir4 Cl2' _cell_volume 269.48078373 _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 0.62136955 1.0 Sr Sr1 1 0.00000000 0.00000000 0.37863045 1.0 Sr Sr2 1 0.00000000 0.00000000 0.12136955 1.0 Sr Sr3 1 0.00000000 0.00000000 0.87863045 1.0 Ir Ir4 1 0.66666700 0.33333300 0.50189388 1.0 Ir Ir5 1 0.33333300 0.66666700 0.00189388 1.0 Ir Ir6 1 0.66666700 0.33333300 0.99810612 1.0 Ir Ir7 1 0.33333300 0.66666700 0.49810612 1.0 Cl Cl8 1 0.66666700 0.33333300 0.25000000 1.0 Cl Cl9 1 0.33333300 0.66666700 0.75000000 1.0