# generated using pymatgen data_Er3Co(P3Ir4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.91606360 _cell_length_b 11.02048059 _cell_length_c 12.60284677 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er3Co(P3Ir4)2 _chemical_formula_sum 'Er6 Co2 P12 Ir16' _cell_volume 543.89983365 _cell_formula_units_Z 2 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 0.00000000 0.50000000 0.52424588 1.0 Er Er1 1 0.50000000 0.00000000 0.47575412 1.0 Er Er2 1 0.50000000 0.81763785 0.20261309 1.0 Er Er3 1 0.50000000 0.18236215 0.20261309 1.0 Er Er4 1 0.00000000 0.68236215 0.79738691 1.0 Er Er5 1 0.00000000 0.31763785 0.79738691 1.0 Co Co6 1 0.00000000 0.50000000 0.98255250 1.0 Co Co7 1 0.50000000 0.00000000 0.01744750 1.0 P P8 1 0.50000000 0.50000000 0.88018918 1.0 P P9 1 0.00000000 0.00000000 0.11981082 1.0 P P10 1 0.50000000 0.50000000 0.35928088 1.0 P P11 1 0.00000000 0.00000000 0.64071912 1.0 P P12 1 0.50000000 0.31602186 0.61977118 1.0 P P13 1 0.50000000 0.68397814 0.61977118 1.0 P P14 1 0.00000000 0.18397814 0.38022882 1.0 P P15 1 0.00000000 0.81602186 0.38022882 1.0 P P16 1 0.50000000 0.84885295 0.89661727 1.0 P P17 1 0.50000000 0.15114705 0.89661727 1.0 P P18 1 0.00000000 0.65114705 0.10338273 1.0 P P19 1 0.00000000 0.34885295 0.10338273 1.0 Ir Ir20 1 0.50000000 0.50000000 0.17757675 1.0 Ir Ir21 1 0.00000000 0.00000000 0.82242325 1.0 Ir Ir22 1 0.50000000 0.50000000 0.70207413 1.0 Ir Ir23 1 0.00000000 0.00000000 0.29792587 1.0 Ir Ir24 1 0.50000000 0.33850845 0.99513512 1.0 Ir Ir25 1 0.50000000 0.66149155 0.99513512 1.0 Ir Ir26 1 0.00000000 0.16149155 0.00486488 1.0 Ir Ir27 1 0.00000000 0.83850845 0.00486488 1.0 Ir Ir28 1 0.50000000 0.29782380 0.43051128 1.0 Ir Ir29 1 0.50000000 0.70217620 0.43051128 1.0 Ir Ir30 1 0.00000000 0.20217620 0.56948872 1.0 Ir Ir31 1 0.00000000 0.79782380 0.56948872 1.0 Ir Ir32 1 0.50000000 0.86924827 0.71514710 1.0 Ir Ir33 1 0.50000000 0.13075173 0.71514710 1.0 Ir Ir34 1 0.00000000 0.63075173 0.28485290 1.0 Ir Ir35 1 0.00000000 0.36924827 0.28485290 1.0