# generated using pymatgen data_CaAl10FeIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.77292557 _cell_length_b 6.77851093 _cell_length_c 9.01785980 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 96.91740451 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaAl10FeIr _chemical_formula_sum 'Ca2 Al20 Fe2 Ir2' _cell_volume 410.99941683 _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 0.87605379 0.12358326 0.25000000 1.0 Ca Ca1 1 0.12394621 0.87641674 0.75000000 1.0 Al Al2 1 0.23150790 0.22010515 0.50143450 1.0 Al Al3 1 0.76849210 0.77989485 0.00143450 1.0 Al Al4 1 0.76849210 0.77989485 0.49856550 1.0 Al Al5 1 0.23150790 0.22010515 0.99856550 1.0 Al Al6 1 0.38143933 0.62833696 0.55037754 1.0 Al Al7 1 0.61856067 0.37166304 0.05037754 1.0 Al Al8 1 0.58342746 0.86457088 0.75000000 1.0 Al Al9 1 0.41657254 0.13542912 0.25000000 1.0 Al Al10 1 0.85989154 0.59245076 0.25000000 1.0 Al Al11 1 0.14010846 0.40754924 0.75000000 1.0 Al Al12 1 0.47873628 0.21870876 0.75000000 1.0 Al Al13 1 0.52126372 0.78129124 0.25000000 1.0 Al Al14 1 0.22495563 0.47843399 0.25000000 1.0 Al Al15 1 0.77504437 0.52156601 0.75000000 1.0 Al Al16 1 0.16504568 0.84500839 0.40070571 1.0 Al Al17 1 0.83495432 0.15499161 0.90070571 1.0 Al Al18 1 0.83495432 0.15499161 0.59929429 1.0 Al Al19 1 0.16504568 0.84500839 0.09929429 1.0 Al Al20 1 0.38143933 0.62833696 0.94962246 1.0 Al Al21 1 0.61856067 0.37166304 0.44962246 1.0 Fe Fe22 1 0.50000000 0.00000000 0.50000000 1.0 Fe Fe23 1 0.50000000 0.00000000 0.00000000 1.0 Ir Ir24 1 0.00000000 0.50000000 0.50000000 1.0 Ir Ir25 1 0.00000000 0.50000000 0.00000000 1.0