# generated using pymatgen data_Er4ZrIr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.68946376 _cell_length_b 10.68946376 _cell_length_c 6.20185345 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er4ZrIr3 _chemical_formula_sum 'Er16 Zr4 Ir12' _cell_volume 708.65252477 _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 0.29011078 0.08717448 0.37440124 1.0 Er Er1 1 0.29011078 0.91282552 0.87440124 1.0 Er Er2 1 0.70988922 0.08717448 0.87440124 1.0 Er Er3 1 0.70988922 0.91282552 0.37440124 1.0 Er Er4 1 0.58717448 0.79011078 0.87440124 1.0 Er Er5 1 0.58717448 0.20988922 0.37440124 1.0 Er Er6 1 0.41282552 0.79011078 0.37440124 1.0 Er Er7 1 0.41282552 0.20988922 0.87440124 1.0 Er Er8 1 0.20988922 0.41282552 0.62559876 1.0 Er Er9 1 0.20988922 0.58717448 0.12559876 1.0 Er Er10 1 0.79011078 0.41282552 0.12559876 1.0 Er Er11 1 0.79011078 0.58717448 0.62559876 1.0 Er Er12 1 0.91282552 0.70988922 0.12559876 1.0 Er Er13 1 0.91282552 0.29011078 0.62559876 1.0 Er Er14 1 0.08717448 0.70988922 0.62559876 1.0 Er Er15 1 0.08717448 0.29011078 0.12559876 1.0 Zr Zr16 1 0.00000000 0.00000000 0.50000000 1.0 Zr Zr17 1 0.00000000 0.00000000 0.00000000 1.0 Zr Zr18 1 0.50000000 0.50000000 0.00000000 1.0 Zr Zr19 1 0.50000000 0.50000000 0.50000000 1.0 Ir Ir20 1 0.85383669 0.14616331 0.25000000 1.0 Ir Ir21 1 0.85383669 0.85383669 0.75000000 1.0 Ir Ir22 1 0.14616331 0.14616331 0.75000000 1.0 Ir Ir23 1 0.14616331 0.85383669 0.25000000 1.0 Ir Ir24 1 0.64616331 0.35383669 0.75000000 1.0 Ir Ir25 1 0.64616331 0.64616331 0.25000000 1.0 Ir Ir26 1 0.35383669 0.35383669 0.25000000 1.0 Ir Ir27 1 0.35383669 0.64616331 0.75000000 1.0 Ir Ir28 1 0.50000000 0.00000000 0.11989859 1.0 Ir Ir29 1 0.50000000 0.00000000 0.61989859 1.0 Ir Ir30 1 0.00000000 0.50000000 0.88010141 1.0 Ir Ir31 1 0.00000000 0.50000000 0.38010141 1.0