# generated using pymatgen data_Ho5Sc2P12Ir17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.58920277 _cell_length_b 12.83245739 _cell_length_c 3.93520483 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.37489035 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ho5Sc2P12Ir17 _chemical_formula_sum 'Ho5 Sc2 P12 Ir17' _cell_volume 553.99691027 _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 0.32994437 0.66070127 0.50000000 1.0 Ho Ho1 1 0.66924310 0.33929873 0.50000000 1.0 Ho Ho2 1 0.00174269 0.81441339 0.00000000 1.0 Ho Ho3 1 0.18732830 0.18558661 0.00000000 1.0 Ho Ho4 1 0.81155746 0.00000000 0.00000000 1.0 Sc Sc5 1 0.99638978 0.44303776 0.50000000 1.0 Sc Sc6 1 0.55335202 0.55696224 0.50000000 1.0 P P7 1 0.00604811 0.65091217 0.50000000 1.0 P P8 1 0.35513594 0.34908783 0.50000000 1.0 P P9 1 0.64405210 0.00000000 0.50000000 1.0 P P10 1 0.51608068 0.68798555 0.00000000 1.0 P P11 1 0.30801017 0.82288882 0.00000000 1.0 P P12 1 0.16535950 0.47990180 0.00000000 1.0 P P13 1 0.48512136 0.17711118 0.00000000 1.0 P P14 1 0.68545670 0.52009820 0.00000000 1.0 P P15 1 0.82809514 0.31201445 0.00000000 1.0 P P16 1 0.99964841 0.17502079 0.50000000 1.0 P P17 1 0.82462762 0.82497921 0.50000000 1.0 P P18 1 0.18097543 0.00000000 0.50000000 1.0 Ir Ir19 1 0.50335998 0.86477086 0.00000000 1.0 Ir Ir20 1 0.12320162 0.64091945 0.00000000 1.0 Ir Ir21 1 0.35822926 0.49970046 0.00000000 1.0 Ir Ir22 1 0.48228318 0.35908055 0.00000000 1.0 Ir Ir23 1 0.85853080 0.50029954 0.00000000 1.0 Ir Ir24 1 0.63858912 0.13522914 0.00000000 1.0 Ir Ir25 1 0.46446763 0.00000000 0.50000000 1.0 Ir Ir26 1 0.99648703 0.27525614 0.00000000 1.0 Ir Ir27 1 0.72123089 0.72474386 0.00000000 1.0 Ir Ir28 1 0.28655888 0.00000000 0.00000000 1.0 Ir Ir29 1 0.62381912 0.80920105 0.50000000 1.0 Ir Ir30 1 0.20545704 0.82581774 0.50000000 1.0 Ir Ir31 1 0.17925788 0.36601832 0.50000000 1.0 Ir Ir32 1 0.37963931 0.17418226 0.50000000 1.0 Ir Ir33 1 0.81323956 0.63398168 0.50000000 1.0 Ir Ir34 1 0.81461707 0.19079895 0.50000000 1.0 Ir Ir35 1 0.00285875 0.00000000 0.50000000 1.0