# generated using pymatgen data_CaAl10IrOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.83365838 _cell_length_b 6.83365704 _cell_length_c 9.10168433 _cell_angle_alpha 90.05760704 _cell_angle_beta 89.94239057 _cell_angle_gamma 96.68718273 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaAl10IrOs _chemical_formula_sum 'Ca2 Al20 Ir2 Os2' _cell_volume 422.14640748 _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 Ca Ca0 1 0.62588219 0.37411781 0.74974229 1.0 Ca Ca1 1 0.37411781 0.62588219 0.25025771 1.0 Al Al2 1 0.27955723 0.01982931 0.74762337 1.0 Al Al3 1 0.01982931 0.27955723 0.25237663 1.0 Al Al4 1 0.72044277 0.98017069 0.25237663 1.0 Al Al5 1 0.98017069 0.72044277 0.74762337 1.0 Al Al6 1 0.87864900 0.12135100 0.94919073 1.0 Al Al7 1 0.12135100 0.87864900 0.05080927 1.0 Al Al8 1 0.87692471 0.12307529 0.54884079 1.0 Al Al9 1 0.12307529 0.87692471 0.45115921 1.0 Al Al10 1 0.64318186 0.91215262 0.74893901 1.0 Al Al11 1 0.91215262 0.64318186 0.25106099 1.0 Al Al12 1 0.35681814 0.08784738 0.25106099 1.0 Al Al13 1 0.08784738 0.35681814 0.74893901 1.0 Al Al14 1 0.34108042 0.65891958 0.89691077 1.0 Al Al15 1 0.65891958 0.34108042 0.10308923 1.0 Al Al16 1 0.34159948 0.65840052 0.59918358 1.0 Al Al17 1 0.65840052 0.34159948 0.40081642 1.0 Al Al18 1 0.72421655 0.72421655 1.00000000 1.0 Al Al19 1 0.72329096 0.72329096 0.50000000 1.0 Al Al20 1 0.27578345 0.27578345 0.00000000 1.0 Al Al21 1 0.27670904 0.27670904 0.50000000 1.0 Ir Ir22 1 0.50000000 0.00000000 0.00000000 1.0 Ir Ir23 1 0.00000000 0.50000000 0.00000000 1.0 Os Os24 1 0.50000000 0.00000000 0.50000000 1.0 Os Os25 1 0.00000000 0.50000000 0.50000000 1.0