# generated using pymatgen data_Ho5Ir2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.69326960 _cell_length_b 10.69326960 _cell_length_c 6.40133940 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ho5Ir2Ru _chemical_formula_sum 'Ho20 Ir8 Ru4' _cell_volume 731.96764931 _cell_formula_units_Z 4 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 0.29347676 0.08636666 0.38296655 1.0 Ho Ho1 1 0.29347676 0.91363334 0.88296655 1.0 Ho Ho2 1 0.70652324 0.08636666 0.88296655 1.0 Ho Ho3 1 0.70652324 0.91363334 0.38296655 1.0 Ho Ho4 1 0.58636666 0.79347676 0.88296655 1.0 Ho Ho5 1 0.58636666 0.20652324 0.38296655 1.0 Ho Ho6 1 0.41363334 0.79347676 0.38296655 1.0 Ho Ho7 1 0.41363334 0.20652324 0.88296655 1.0 Ho Ho8 1 0.20652324 0.41363334 0.61703345 1.0 Ho Ho9 1 0.20652324 0.58636666 0.11703345 1.0 Ho Ho10 1 0.79347676 0.41363334 0.11703345 1.0 Ho Ho11 1 0.79347676 0.58636666 0.61703345 1.0 Ho Ho12 1 0.91363334 0.70652324 0.11703345 1.0 Ho Ho13 1 0.91363334 0.29347676 0.61703345 1.0 Ho Ho14 1 0.08636666 0.70652324 0.61703345 1.0 Ho Ho15 1 0.08636666 0.29347676 0.11703345 1.0 Ho Ho16 1 0.00000000 0.00000000 0.50000000 1.0 Ho Ho17 1 0.00000000 0.00000000 0.00000000 1.0 Ho Ho18 1 0.50000000 0.50000000 0.00000000 1.0 Ho Ho19 1 0.50000000 0.50000000 0.50000000 1.0 Ir Ir20 1 0.84763968 0.15236032 0.25000000 1.0 Ir Ir21 1 0.84763968 0.84763968 0.75000000 1.0 Ir Ir22 1 0.15236032 0.15236032 0.75000000 1.0 Ir Ir23 1 0.15236032 0.84763968 0.25000000 1.0 Ir Ir24 1 0.65236032 0.34763968 0.75000000 1.0 Ir Ir25 1 0.65236032 0.65236032 0.25000000 1.0 Ir Ir26 1 0.34763968 0.34763968 0.25000000 1.0 Ir Ir27 1 0.34763968 0.65236032 0.75000000 1.0 Ru Ru28 1 0.50000000 0.00000000 0.13169832 1.0 Ru Ru29 1 0.50000000 0.00000000 0.63169832 1.0 Ru Ru30 1 0.00000000 0.50000000 0.86830168 1.0 Ru Ru31 1 0.00000000 0.50000000 0.36830168 1.0