# generated using pymatgen data_AcNd3(B8Ru7)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.45084892 _cell_length_b 6.46347605 _cell_length_c 10.07353873 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.98866359 _symmetry_Int_Tables_number 1 _chemical_formula_structural AcNd3(B8Ru7)2 _chemical_formula_sum 'Ac1 Nd3 B16 Ru14' _cell_volume 420.01525716 _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 Ac Ac0 1 0.73004325 0.88496120 0.00000000 1.0 Nd Nd1 1 0.12413960 0.73260660 0.50000000 1.0 Nd Nd2 1 0.87594271 0.26534340 0.50000000 1.0 Nd Nd3 1 0.26233403 0.13026592 0.00000000 1.0 B B4 1 0.50022576 0.99991335 0.58866710 1.0 B B5 1 0.50022576 0.99991335 0.41133290 1.0 B B6 1 0.89709316 0.27659675 0.17279626 1.0 B B7 1 0.10465153 0.72298346 0.82767957 1.0 B B8 1 0.49982341 0.50004300 0.34237049 1.0 B B9 1 0.50003108 0.49896290 0.84100368 1.0 B B10 1 0.27531939 0.10300933 0.66945314 1.0 B B11 1 0.10465153 0.72298346 0.17232043 1.0 B B12 1 0.27531939 0.10300933 0.33054686 1.0 B B13 1 0.89709316 0.27659675 0.82720374 1.0 B B14 1 0.49982341 0.50004300 0.65762951 1.0 B B15 1 0.50003108 0.49896290 0.15899632 1.0 B B16 1 0.99997436 0.49956380 0.91023278 1.0 B B17 1 0.72596351 0.89587151 0.66903976 1.0 B B18 1 0.72596351 0.89587151 0.33096024 1.0 B B19 1 0.99997436 0.49956380 0.08976722 1.0 Ru Ru20 1 0.20501971 0.39968967 0.75175350 1.0 Ru Ru21 1 0.39755340 0.28480202 0.50000000 1.0 Ru Ru22 1 0.39922794 0.79476451 0.25403604 1.0 Ru Ru23 1 0.20501971 0.39968967 0.24824650 1.0 Ru Ru24 1 0.60185375 0.71523491 0.50000000 1.0 Ru Ru25 1 0.59964064 0.20531237 0.74607705 1.0 Ru Ru26 1 0.28404580 0.60094508 0.00000000 1.0 Ru Ru27 1 0.71492466 0.39812137 0.00000000 1.0 Ru Ru28 1 0.79636012 0.59749713 0.25021805 1.0 Ru Ru29 1 0.79636012 0.59749713 0.74978195 1.0 Ru Ru30 1 0.39922794 0.79476451 0.74596396 1.0 Ru Ru31 1 0.00125131 0.99965247 0.25162600 1.0 Ru Ru32 1 0.59964064 0.20531237 0.25392295 1.0 Ru Ru33 1 0.00125131 0.99965247 0.74837400 1.0