# generated using pymatgen data_Er5Zr3Ir4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56753903 _cell_length_b 6.99395870 _cell_length_c 8.33114265 _cell_angle_alpha 90.80339916 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er5Zr3Ir4 _chemical_formula_sum 'Er5 Zr3 Ir4' _cell_volume 266.11368324 _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 Er Er0 1 0.25000000 0.85257776 0.91894111 1.0 Er Er1 1 0.75000000 0.50540392 0.82899266 1.0 Er Er2 1 0.25000000 0.48690495 0.17849468 1.0 Er Er3 1 0.75000000 0.01659340 0.66883882 1.0 Er Er4 1 0.25000000 0.98644662 0.32161269 1.0 Zr Zr5 1 0.75000000 0.63984605 0.42379442 1.0 Zr Zr6 1 0.25000000 0.35841915 0.57818187 1.0 Zr Zr7 1 0.75000000 0.14366183 0.07705989 1.0 Ir Ir8 1 0.75000000 0.26445115 0.41045121 1.0 Ir Ir9 1 0.25000000 0.73674421 0.57876040 1.0 Ir Ir10 1 0.75000000 0.76078928 0.10345009 1.0 Ir Ir11 1 0.25000000 0.24816267 0.91142115 1.0