# generated using pymatgen data_NdTh3(B10Ru)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20166940 _cell_length_b 5.73525908 _cell_length_c 11.45818847 _cell_angle_alpha 90.02551962 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdTh3(B10Ru)2 _chemical_formula_sum 'Nd1 Th3 B20 Ru2' _cell_volume 276.11553236 _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 Nd Nd0 1 0.50000000 0.28446588 0.86789600 1.0 Th Th1 1 0.50000000 0.72010364 0.12885972 1.0 Th Th2 1 0.50000000 0.78329498 0.63147167 1.0 Th Th3 1 0.50000000 0.21781600 0.36893262 1.0 B B4 1 0.00000000 0.11907069 0.54239802 1.0 B B5 1 0.00000000 0.88094345 0.45778218 1.0 B B6 1 0.00000000 0.61707916 0.95685792 1.0 B B7 1 0.00000000 0.37871016 0.04239694 1.0 B B8 1 0.00000000 0.13275197 0.69700090 1.0 B B9 1 0.00000000 0.86814507 0.30353258 1.0 B B10 1 0.30007117 0.22008625 0.11880575 1.0 B B11 1 0.29966639 0.77804917 0.88194141 1.0 B B12 1 0.69954468 0.72075749 0.38149712 1.0 B B13 1 0.69996033 0.27902472 0.61858445 1.0 B B14 1 0.70033361 0.77804917 0.88194141 1.0 B B15 1 0.69992883 0.22008625 0.11880575 1.0 B B16 1 0.30003967 0.27902472 0.61858445 1.0 B B17 1 0.30045532 0.72075749 0.38149712 1.0 B B18 1 0.00000000 0.05955684 0.19330165 1.0 B B19 1 0.00000000 0.94182554 0.80836122 1.0 B B20 1 0.00000000 0.55981391 0.30696718 1.0 B B21 1 0.00000000 0.44194011 0.69201877 1.0 B B22 1 0.00000000 0.36813891 0.19656328 1.0 B B23 1 0.00000000 0.63394426 0.80272552 1.0 Ru Ru24 1 0.00000000 0.49982361 0.50001762 1.0 Ru Ru25 1 0.00000000 0.99674356 0.00125874 1.0