# generated using pymatgen data_Ho3P6Ir8Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.96196575 _cell_length_b 11.11379022 _cell_length_c 12.63849673 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ho3P6Ir8Ru _chemical_formula_sum 'Ho6 P12 Ir16 Ru2' _cell_volume 556.50405415 _cell_formula_units_Z 2 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 0.52356685 1.0 Ho Ho1 1 0.50000000 0.00000000 0.47643315 1.0 Ho Ho2 1 0.50000000 0.82016075 0.20764984 1.0 Ho Ho3 1 0.50000000 0.17983925 0.20764984 1.0 Ho Ho4 1 0.00000000 0.67983925 0.79235016 1.0 Ho Ho5 1 0.00000000 0.32016075 0.79235016 1.0 P P6 1 0.50000000 0.31647659 0.61871950 1.0 P P7 1 0.50000000 0.68352341 0.61871950 1.0 P P8 1 0.00000000 0.18352341 0.38128050 1.0 P P9 1 0.00000000 0.81647659 0.38128050 1.0 P P10 1 0.50000000 0.50000000 0.87879724 1.0 P P11 1 0.00000000 0.00000000 0.12120276 1.0 P P12 1 0.50000000 0.84194643 0.88737572 1.0 P P13 1 0.50000000 0.15805357 0.88737572 1.0 P P14 1 0.00000000 0.65805357 0.11262428 1.0 P P15 1 0.00000000 0.34194643 0.11262428 1.0 P P16 1 0.50000000 0.50000000 0.35375759 1.0 P P17 1 0.00000000 0.00000000 0.64624241 1.0 Ir Ir18 1 0.00000000 0.50000000 0.99799601 1.0 Ir Ir19 1 0.50000000 0.00000000 0.00200399 1.0 Ir Ir20 1 0.50000000 0.30101969 0.43228204 1.0 Ir Ir21 1 0.50000000 0.69898031 0.43228204 1.0 Ir Ir22 1 0.00000000 0.19898031 0.56771796 1.0 Ir Ir23 1 0.00000000 0.80101969 0.56771796 1.0 Ir Ir24 1 0.50000000 0.87134357 0.71095887 1.0 Ir Ir25 1 0.50000000 0.12865643 0.71095887 1.0 Ir Ir26 1 0.00000000 0.62865643 0.28904113 1.0 Ir Ir27 1 0.00000000 0.37134357 0.28904113 1.0 Ir Ir28 1 0.50000000 0.33219256 0.98413054 1.0 Ir Ir29 1 0.50000000 0.66780744 0.98413054 1.0 Ir Ir30 1 0.00000000 0.16780744 0.01586946 1.0 Ir Ir31 1 0.00000000 0.83219256 0.01586946 1.0 Ir Ir32 1 0.50000000 0.50000000 0.70155335 1.0 Ir Ir33 1 0.00000000 0.00000000 0.29844665 1.0 Ru Ru34 1 0.50000000 0.50000000 0.17032881 1.0 Ru Ru35 1 0.00000000 0.00000000 0.82967119 1.0