# generated using pymatgen data_Er5Tc5(P6Ir7)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.52351365 _cell_length_b 12.62694042 _cell_length_c 3.95131038 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.10975132 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er5Tc5(P6Ir7)2 _chemical_formula_sum 'Er5 Tc5 P12 Ir14' _cell_volume 540.52370044 _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 0.33422129 0.66838957 0.50000000 1.0 Er Er1 1 0.66654870 0.33350715 0.50000000 1.0 Er Er2 1 0.99909520 0.81088356 0.00000000 1.0 Er Er3 1 0.18556535 0.18436019 0.00000000 1.0 Er Er4 1 0.81098544 0.99768527 0.00000000 1.0 Tc Tc5 1 0.99535075 0.44935418 0.50000000 1.0 Tc Tc6 1 0.54908979 0.54421572 0.50000000 1.0 Tc Tc7 1 0.45793139 0.01149564 0.50000000 1.0 Tc Tc8 1 0.62006115 0.79884555 0.50000000 1.0 Tc Tc9 1 0.20137882 0.82196244 0.50000000 1.0 P P10 1 0.00733000 0.64042586 0.50000000 1.0 P P11 1 0.36332442 0.36527497 0.50000000 1.0 P P12 1 0.63310756 0.99300899 0.50000000 1.0 P P13 1 0.52037717 0.69453752 0.00000000 1.0 P P14 1 0.30805142 0.83006681 0.00000000 1.0 P P15 1 0.17044799 0.48316434 0.00000000 1.0 P P16 1 0.48314081 0.16902955 0.00000000 1.0 P P17 1 0.68526022 0.51638817 0.00000000 1.0 P P18 1 0.83340253 0.31558683 0.00000000 1.0 P P19 1 0.99932565 0.17572685 0.50000000 1.0 P P20 1 0.81726343 0.82045665 0.50000000 1.0 P P21 1 0.17612194 0.99305449 0.50000000 1.0 Ir Ir22 1 0.50770124 0.87523749 0.00000000 1.0 Ir Ir23 1 0.12852216 0.63543725 0.00000000 1.0 Ir Ir24 1 0.36256740 0.49492294 0.00000000 1.0 Ir Ir25 1 0.49141857 0.35821030 0.00000000 1.0 Ir Ir26 1 0.86435052 0.50539520 0.00000000 1.0 Ir Ir27 1 0.64445947 0.13883141 0.00000000 1.0 Ir Ir28 1 0.00042310 0.28454405 0.00000000 1.0 Ir Ir29 1 0.71698444 0.71146074 0.00000000 1.0 Ir Ir30 1 0.28649551 0.00553173 0.00000000 1.0 Ir Ir31 1 0.18028330 0.37565733 0.50000000 1.0 Ir Ir32 1 0.37232471 0.18409203 0.50000000 1.0 Ir Ir33 1 0.80895584 0.62358916 0.50000000 1.0 Ir Ir34 1 0.81906509 0.19086326 0.50000000 1.0 Ir Ir35 1 0.99906764 0.99880680 0.50000000 1.0