# generated using pymatgen data_Ho5Zr2P12Ir17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.82627579 _cell_length_b 12.82627538 _cell_length_c 3.95654874 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 121.24462036 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ho5Zr2P12Ir17 _chemical_formula_sum 'Ho5 Zr2 P12 Ir17' _cell_volume 556.49817338 _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 Ho Ho0 1 0.33158489 0.66996857 0.00000000 1.0 Ho Ho1 1 0.66996857 0.33158489 0.00000000 1.0 Ho Ho2 1 0.81717752 0.99958503 0.50000000 1.0 Ho Ho3 1 0.99958503 0.81717752 0.50000000 1.0 Ho Ho4 1 0.18586126 0.18586126 0.50000000 1.0 Zr Zr5 1 0.44895756 0.00308483 0.00000000 1.0 Zr Zr6 1 0.00308483 0.44895756 0.00000000 1.0 P P7 1 0.17409988 0.00048980 0.00000000 1.0 P P8 1 0.00048980 0.17409988 0.00000000 1.0 P P9 1 0.81862572 0.81862572 0.00000000 1.0 P P10 1 0.17243432 0.48421315 0.50000000 1.0 P P11 1 0.51601590 0.69051113 0.50000000 1.0 P P12 1 0.31556649 0.83484616 0.50000000 1.0 P P13 1 0.69051113 0.51601590 0.50000000 1.0 P P14 1 0.83484616 0.31556649 0.50000000 1.0 P P15 1 0.48421315 0.17243432 0.50000000 1.0 P P16 1 0.64684429 0.99303995 0.00000000 1.0 P P17 1 0.99303995 0.64684429 0.00000000 1.0 P P18 1 0.35411671 0.35411671 0.00000000 1.0 Ir Ir19 1 0.53366668 0.53366668 0.00000000 1.0 Ir Ir20 1 0.36056720 0.49607038 0.50000000 1.0 Ir Ir21 1 0.51631372 0.87318590 0.50000000 1.0 Ir Ir22 1 0.14246446 0.64343615 0.50000000 1.0 Ir Ir23 1 0.87318590 0.51631372 0.50000000 1.0 Ir Ir24 1 0.64343615 0.14246446 0.50000000 1.0 Ir Ir25 1 0.49607038 0.36056720 0.50000000 1.0 Ir Ir26 1 0.18432105 0.37545903 0.00000000 1.0 Ir Ir27 1 0.62152842 0.79553160 0.00000000 1.0 Ir Ir28 1 0.18753057 0.82156510 0.00000000 1.0 Ir Ir29 1 0.79553160 0.62152842 0.00000000 1.0 Ir Ir30 1 0.82156510 0.18753057 0.00000000 1.0 Ir Ir31 1 0.37545903 0.18432105 0.00000000 1.0 Ir Ir32 1 0.28067178 0.00270943 0.50000000 1.0 Ir Ir33 1 0.00270943 0.28067178 0.50000000 1.0 Ir Ir34 1 0.71200235 0.71200235 0.50000000 1.0 Ir Ir35 1 0.99595202 0.99595202 0.00000000 1.0