# generated using pymatgen data_Er5Nb2P12Ir17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.48477127 _cell_length_b 12.70470344 _cell_length_c 3.97748201 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.42898476 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er5Nb2P12Ir17 _chemical_formula_sum 'Er5 Nb2 P12 Ir17' _cell_volume 549.48296081 _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 0.32911642 0.65980948 0.50000000 1.0 Er Er1 1 0.66930794 0.34019052 0.50000000 1.0 Er Er2 1 0.99933298 0.81440919 0.00000000 1.0 Er Er3 1 0.18492379 0.18559081 0.00000000 1.0 Er Er4 1 0.81598829 0.00000000 0.00000000 1.0 Nb Nb5 1 0.99707686 0.45013383 0.50000000 1.0 Nb Nb6 1 0.54694303 0.54986617 0.50000000 1.0 P P7 1 0.00343403 0.64302935 0.50000000 1.0 P P8 1 0.36040468 0.35697065 0.50000000 1.0 P P9 1 0.64694282 1.00000000 0.50000000 1.0 P P10 1 0.51410954 0.68365707 0.00000000 1.0 P P11 1 0.30880777 0.82371516 0.00000000 1.0 P P12 1 0.16265388 0.48102520 0.00000000 1.0 P P13 1 0.48509261 0.17628484 0.00000000 1.0 P P14 1 0.68162968 0.51897480 0.00000000 1.0 P P15 1 0.83045247 0.31634293 0.00000000 1.0 P P16 1 0.00007390 0.17453289 0.50000000 1.0 P P17 1 0.82554000 0.82546711 0.50000000 1.0 P P18 1 0.18098660 0.00000000 0.50000000 1.0 Ir Ir19 1 0.50437686 0.86275948 0.00000000 1.0 Ir Ir20 1 0.12767185 0.64163064 0.00000000 1.0 Ir Ir21 1 0.35399164 0.49488806 0.00000000 1.0 Ir Ir22 1 0.48604221 0.35836936 0.00000000 1.0 Ir Ir23 1 0.85910558 0.50511194 0.00000000 1.0 Ir Ir24 1 0.64161938 0.13724052 0.00000000 1.0 Ir Ir25 1 0.46600922 1.00000000 0.50000000 1.0 Ir Ir26 1 0.99726732 0.28204745 0.00000000 1.0 Ir Ir27 1 0.71521887 0.71795255 0.00000000 1.0 Ir Ir28 1 0.29127971 0.00000000 0.00000000 1.0 Ir Ir29 1 0.62526577 0.80790441 0.50000000 1.0 Ir Ir30 1 0.20203759 0.82396053 0.50000000 1.0 Ir Ir31 1 0.17749364 0.36652602 0.50000000 1.0 Ir Ir32 1 0.37807606 0.17603947 0.50000000 1.0 Ir Ir33 1 0.81096662 0.63347398 0.50000000 1.0 Ir Ir34 1 0.81736137 0.19209559 0.50000000 1.0 Ir Ir35 1 0.00340103 0.00000000 0.50000000 1.0