# generated using pymatgen data_Ho4HfIr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.72864410 _cell_length_b 10.72864410 _cell_length_c 6.20909290 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ho4HfIr3 _chemical_formula_sum 'Ho16 Hf4 Ir12' _cell_volume 714.69021447 _cell_formula_units_Z 4 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 Ho Ho0 1 0.28894231 0.08577407 0.37768270 1.0 Ho Ho1 1 0.28894231 0.91422593 0.87768270 1.0 Ho Ho2 1 0.71105769 0.08577407 0.87768270 1.0 Ho Ho3 1 0.71105769 0.91422593 0.37768270 1.0 Ho Ho4 1 0.58577407 0.78894231 0.87768270 1.0 Ho Ho5 1 0.58577407 0.21105769 0.37768270 1.0 Ho Ho6 1 0.41422593 0.78894231 0.37768270 1.0 Ho Ho7 1 0.41422593 0.21105769 0.87768270 1.0 Ho Ho8 1 0.21105769 0.41422593 0.62231730 1.0 Ho Ho9 1 0.21105769 0.58577407 0.12231730 1.0 Ho Ho10 1 0.78894231 0.41422593 0.12231730 1.0 Ho Ho11 1 0.78894231 0.58577407 0.62231730 1.0 Ho Ho12 1 0.91422593 0.71105769 0.12231730 1.0 Ho Ho13 1 0.91422593 0.28894231 0.62231730 1.0 Ho Ho14 1 0.08577407 0.71105769 0.62231730 1.0 Ho Ho15 1 0.08577407 0.28894231 0.12231730 1.0 Hf Hf16 1 0.00000000 0.00000000 0.50000000 1.0 Hf Hf17 1 0.00000000 0.00000000 0.00000000 1.0 Hf Hf18 1 0.50000000 0.50000000 0.00000000 1.0 Hf Hf19 1 0.50000000 0.50000000 0.50000000 1.0 Ir Ir20 1 0.85681739 0.14318261 0.25000000 1.0 Ir Ir21 1 0.85681739 0.85681739 0.75000000 1.0 Ir Ir22 1 0.14318261 0.14318261 0.75000000 1.0 Ir Ir23 1 0.14318261 0.85681739 0.25000000 1.0 Ir Ir24 1 0.64318261 0.35681739 0.75000000 1.0 Ir Ir25 1 0.64318261 0.64318261 0.25000000 1.0 Ir Ir26 1 0.35681739 0.35681739 0.25000000 1.0 Ir Ir27 1 0.35681739 0.64318261 0.75000000 1.0 Ir Ir28 1 0.50000000 0.00000000 0.12333572 1.0 Ir Ir29 1 0.50000000 0.00000000 0.62333572 1.0 Ir Ir30 1 0.00000000 0.50000000 0.87666428 1.0 Ir Ir31 1 0.00000000 0.50000000 0.37666428 1.0