# generated using pymatgen data_TbEr5(P2Ir3)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95919336 _cell_length_b 11.12646530 _cell_length_c 12.66173262 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbEr5(P2Ir3)6 _chemical_formula_sum 'Tb1 Er5 P12 Ir18' _cell_volume 557.77246254 _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 Tb Tb0 1 0.75000000 0.25000000 0.47697512 1.0 Er Er1 1 0.25000000 0.75000000 0.52323758 1.0 Er Er2 1 0.25000000 0.93335767 0.79454834 1.0 Er Er3 1 0.25000000 0.56664233 0.79454834 1.0 Er Er4 1 0.75000000 0.06674359 0.20532604 1.0 Er Er5 1 0.75000000 0.43325641 0.20532604 1.0 P P6 1 0.25000000 0.25000000 0.12360160 1.0 P P7 1 0.75000000 0.75000000 0.87591400 1.0 P P8 1 0.25000000 0.25000000 0.63926577 1.0 P P9 1 0.75000000 0.75000000 0.36180862 1.0 P P10 1 0.25000000 0.43502154 0.38178452 1.0 P P11 1 0.25000000 0.06497846 0.38178452 1.0 P P12 1 0.75000000 0.56542505 0.61777035 1.0 P P13 1 0.75000000 0.93457495 0.61777035 1.0 P P14 1 0.25000000 0.90680013 0.10630842 1.0 P P15 1 0.25000000 0.59319987 0.10630842 1.0 P P16 1 0.75000000 0.09289022 0.89380048 1.0 P P17 1 0.75000000 0.40710978 0.89380048 1.0 Ir Ir18 1 0.25000000 0.25000000 0.81775819 1.0 Ir Ir19 1 0.75000000 0.75000000 0.18284519 1.0 Ir Ir20 1 0.25000000 0.25000000 0.29978851 1.0 Ir Ir21 1 0.75000000 0.75000000 0.69910445 1.0 Ir Ir22 1 0.75000000 0.25000000 0.02763671 1.0 Ir Ir23 1 0.25000000 0.75000000 0.97158500 1.0 Ir Ir24 1 0.25000000 0.41373935 0.99837518 1.0 Ir Ir25 1 0.25000000 0.08626065 0.99837518 1.0 Ir Ir26 1 0.75000000 0.58656305 0.00185403 1.0 Ir Ir27 1 0.75000000 0.91343695 0.00185403 1.0 Ir Ir28 1 0.25000000 0.45529233 0.57047635 1.0 Ir Ir29 1 0.25000000 0.04470767 0.57047635 1.0 Ir Ir30 1 0.75000000 0.54686913 0.42985167 1.0 Ir Ir31 1 0.75000000 0.95313087 0.42985167 1.0 Ir Ir32 1 0.25000000 0.88207148 0.28527956 1.0 Ir Ir33 1 0.25000000 0.61792852 0.28527956 1.0 Ir Ir34 1 0.75000000 0.11773011 0.71486420 1.0 Ir Ir35 1 0.75000000 0.38226989 0.71486420 1.0