# generated using pymatgen data_Ca9HoIr4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.50774873 _cell_length_b 7.52055913 _cell_length_c 8.56347508 _cell_angle_alpha 97.29058316 _cell_angle_beta 112.33189619 _cell_angle_gamma 90.00000375 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca9HoIr4 _chemical_formula_sum 'Ca9 Ho1 Ir4' _cell_volume 384.01299791 _cell_formula_units_Z 1 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 0.96968128 0.91950519 0.17165683 1.0 Ca Ca1 1 0.79802344 0.58049481 0.82834317 1.0 Ca Ca2 1 0.02306430 0.08166921 0.82567748 1.0 Ca Ca3 1 0.19738682 0.41833079 0.17432252 1.0 Ca Ca4 1 0.63761890 0.82297755 0.43335219 1.0 Ca Ca5 1 0.20426571 0.67702245 0.56664781 1.0 Ca Ca6 1 0.36388785 0.17739745 0.56354071 1.0 Ca Ca7 1 0.80034815 0.32260255 0.43645929 1.0 Ca Ca8 1 0.42621817 0.75000000 1.00000000 1.0 Ho Ho9 1 0.56277318 0.25000000 0.00000000 1.0 Ir Ir10 1 0.81596810 0.57087614 0.21204074 1.0 Ir Ir11 1 0.60392736 0.92912386 0.78795926 1.0 Ir Ir12 1 0.19125274 0.41279497 0.78566874 1.0 Ir Ir13 1 0.40558300 0.08720503 0.21433126 1.0