# generated using pymatgen data_Ho9Lu(Ir2Ru)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.67294074 _cell_length_b 10.67294074 _cell_length_c 6.38334076 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ho9Lu(Ir2Ru)2 _chemical_formula_sum 'Ho18 Lu2 Ir8 Ru4' _cell_volume 727.13696783 _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 0.29196038 0.08611976 0.38175002 1.0 Ho Ho1 1 0.29196038 0.91388024 0.88175002 1.0 Ho Ho2 1 0.70803962 0.08611976 0.88175002 1.0 Ho Ho3 1 0.70803962 0.91388024 0.38175002 1.0 Ho Ho4 1 0.58631717 0.79388893 0.88147928 1.0 Ho Ho5 1 0.58631717 0.20611107 0.38147928 1.0 Ho Ho6 1 0.41368283 0.79388893 0.38147928 1.0 Ho Ho7 1 0.41368283 0.20611107 0.88147928 1.0 Ho Ho8 1 0.20611107 0.41368283 0.61852072 1.0 Ho Ho9 1 0.20611107 0.58631717 0.11852072 1.0 Ho Ho10 1 0.79388893 0.41368283 0.11852072 1.0 Ho Ho11 1 0.79388893 0.58631717 0.61852072 1.0 Ho Ho12 1 0.91388024 0.70803962 0.11824998 1.0 Ho Ho13 1 0.91388024 0.29196038 0.61824998 1.0 Ho Ho14 1 0.08611976 0.70803962 0.61824998 1.0 Ho Ho15 1 0.08611976 0.29196038 0.11824998 1.0 Ho Ho16 1 0.50000000 0.50000000 0.00000000 1.0 Ho Ho17 1 0.50000000 0.50000000 0.50000000 1.0 Lu Lu18 1 0.00000000 0.00000000 0.50000000 1.0 Lu Lu19 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir20 1 0.84995024 0.15004976 0.25000000 1.0 Ir Ir21 1 0.84995024 0.84995024 0.75000000 1.0 Ir Ir22 1 0.15004976 0.15004976 0.75000000 1.0 Ir Ir23 1 0.15004976 0.84995024 0.25000000 1.0 Ir Ir24 1 0.65281288 0.34718712 0.75000000 1.0 Ir Ir25 1 0.65281288 0.65281288 0.25000000 1.0 Ir Ir26 1 0.34718712 0.34718712 0.25000000 1.0 Ir Ir27 1 0.34718712 0.65281288 0.75000000 1.0 Ru Ru28 1 0.50000000 0.00000000 0.13136425 1.0 Ru Ru29 1 0.50000000 0.00000000 0.63136425 1.0 Ru Ru30 1 0.00000000 0.50000000 0.86863575 1.0 Ru Ru31 1 0.00000000 0.50000000 0.36863575 1.0