# generated using pymatgen data_Ho6FeP12Ir17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95679154 _cell_length_b 11.13755791 _cell_length_c 12.56839289 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ho6FeP12Ir17 _chemical_formula_sum 'Ho6 Fe1 P12 Ir17' _cell_volume 553.87644202 _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 0.00000000 0.50000000 0.52438729 1.0 Ho Ho1 1 0.50000000 0.00000000 0.47525719 1.0 Ho Ho2 1 0.50000000 0.82365025 0.20398634 1.0 Ho Ho3 1 0.50000000 0.17634975 0.20398634 1.0 Ho Ho4 1 0.00000000 0.68138439 0.79533399 1.0 Ho Ho5 1 0.00000000 0.31861561 0.79533399 1.0 Fe Fe6 1 0.50000000 0.00000000 0.99933285 1.0 P P7 1 0.50000000 0.31607913 0.61884753 1.0 P P8 1 0.50000000 0.68392087 0.61884753 1.0 P P9 1 0.00000000 0.18386635 0.38170750 1.0 P P10 1 0.00000000 0.81613365 0.38170750 1.0 P P11 1 0.50000000 0.50000000 0.88039330 1.0 P P12 1 0.00000000 0.00000000 0.12142789 1.0 P P13 1 0.50000000 0.84549585 0.89424380 1.0 P P14 1 0.50000000 0.15450415 0.89424380 1.0 P P15 1 0.00000000 0.66157411 0.10670822 1.0 P P16 1 0.00000000 0.33842589 0.10670822 1.0 P P17 1 0.50000000 0.50000000 0.35974163 1.0 P P18 1 0.00000000 0.00000000 0.64179791 1.0 Ir Ir19 1 0.00000000 0.50000000 0.98463807 1.0 Ir Ir20 1 0.50000000 0.29889444 0.43038847 1.0 Ir Ir21 1 0.50000000 0.70110556 0.43038847 1.0 Ir Ir22 1 0.00000000 0.20208739 0.57000066 1.0 Ir Ir23 1 0.00000000 0.79791261 0.57000066 1.0 Ir Ir24 1 0.50000000 0.86880434 0.71374489 1.0 Ir Ir25 1 0.50000000 0.13119566 0.71374489 1.0 Ir Ir26 1 0.00000000 0.63270611 0.28509503 1.0 Ir Ir27 1 0.00000000 0.36729389 0.28509503 1.0 Ir Ir28 1 0.50000000 0.33245181 0.99492072 1.0 Ir Ir29 1 0.50000000 0.66754819 0.99492072 1.0 Ir Ir30 1 0.00000000 0.16003178 0.00812579 1.0 Ir Ir31 1 0.00000000 0.83996822 0.00812579 1.0 Ir Ir32 1 0.50000000 0.50000000 0.17919358 1.0 Ir Ir33 1 0.00000000 0.00000000 0.82467476 1.0 Ir Ir34 1 0.50000000 0.50000000 0.70220191 1.0 Ir Ir35 1 0.00000000 0.00000000 0.30075076 1.0