# generated using pymatgen data_Er3Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.36514217 _cell_length_b 7.14463464 _cell_length_c 9.01902333 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er3Ir _chemical_formula_sum 'Er12 Ir4' _cell_volume 410.15465379 _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 0.32254416 0.67592385 0.06216109 1.0 Er Er1 1 0.17745484 0.17592385 0.43783891 1.0 Er Er2 1 0.67745484 0.32407615 0.56216109 1.0 Er Er3 1 0.82254416 0.82407615 0.93783791 1.0 Er Er4 1 0.67745484 0.32407615 0.93783791 1.0 Er Er5 1 0.82254516 0.82407615 0.56216209 1.0 Er Er6 1 0.32254516 0.67592385 0.43783891 1.0 Er Er7 1 0.17745484 0.17592385 0.06216109 1.0 Er Er8 1 0.87583746 0.53571950 0.25000100 1.0 Er Er9 1 0.62416254 0.03571850 0.25000100 1.0 Er Er10 1 0.12416154 0.46428050 0.75000000 1.0 Er Er11 1 0.37583846 0.96428050 0.74999900 1.0 Ir Ir12 1 0.03550244 0.88754295 0.25000100 1.0 Ir Ir13 1 0.46449756 0.38754295 0.25000100 1.0 Ir Ir14 1 0.96449756 0.11245705 0.74999900 1.0 Ir Ir15 1 0.53550244 0.61245705 0.75000000 1.0