# generated using pymatgen data_Er4HfIr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.68025722 _cell_length_b 10.68025722 _cell_length_c 6.18296132 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er4HfIr3 _chemical_formula_sum 'Er16 Hf4 Ir12' _cell_volume 705.27737873 _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 Er Er0 1 0.28916066 0.08601750 0.37532917 1.0 Er Er1 1 0.28916066 0.91398250 0.87532917 1.0 Er Er2 1 0.71083934 0.08601750 0.87532917 1.0 Er Er3 1 0.71083934 0.91398250 0.37532917 1.0 Er Er4 1 0.58601750 0.78916066 0.87532917 1.0 Er Er5 1 0.58601750 0.21083934 0.37532917 1.0 Er Er6 1 0.41398250 0.78916066 0.37532917 1.0 Er Er7 1 0.41398250 0.21083934 0.87532917 1.0 Er Er8 1 0.21083934 0.41398250 0.62467083 1.0 Er Er9 1 0.21083934 0.58601750 0.12467083 1.0 Er Er10 1 0.78916066 0.41398250 0.12467083 1.0 Er Er11 1 0.78916066 0.58601750 0.62467083 1.0 Er Er12 1 0.91398250 0.71083934 0.12467083 1.0 Er Er13 1 0.91398250 0.28916066 0.62467083 1.0 Er Er14 1 0.08601750 0.71083934 0.62467083 1.0 Er Er15 1 0.08601750 0.28916066 0.12467083 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 0.85585457 0.14414543 0.25000000 1.0 Ir Ir21 1 0.85585457 0.85585457 0.75000000 1.0 Ir Ir22 1 0.14414543 0.14414543 0.75000000 1.0 Ir Ir23 1 0.14414543 0.85585457 0.25000000 1.0 Ir Ir24 1 0.64414543 0.35585457 0.75000000 1.0 Ir Ir25 1 0.64414543 0.64414543 0.25000000 1.0 Ir Ir26 1 0.35585457 0.35585457 0.25000000 1.0 Ir Ir27 1 0.35585457 0.64414543 0.75000000 1.0 Ir Ir28 1 0.50000000 0.00000000 0.12105039 1.0 Ir Ir29 1 0.50000000 0.00000000 0.62105039 1.0 Ir Ir30 1 0.00000000 0.50000000 0.87894961 1.0 Ir Ir31 1 0.00000000 0.50000000 0.37894961 1.0