# generated using pymatgen data_Pr3Th(B10Ru)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22130152 _cell_length_b 5.76072498 _cell_length_c 11.46957437 _cell_angle_alpha 90.05888979 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr3Th(B10Ru)2 _chemical_formula_sum 'Pr3 Th1 B20 Ru2' _cell_volume 278.91417646 _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 Pr Pr0 1 0.50000000 0.28139635 0.86933060 1.0 Pr Pr1 1 0.50000000 0.72004860 0.12912561 1.0 Pr Pr2 1 0.50000000 0.78297418 0.63372095 1.0 Th Th3 1 0.50000000 0.22241206 0.37014150 1.0 B B4 1 0.00000000 0.11775004 0.54246764 1.0 B B5 1 0.00000000 0.87706439 0.45804185 1.0 B B6 1 0.00000000 0.61986702 0.95722153 1.0 B B7 1 0.00000000 0.37956131 0.04296997 1.0 B B8 1 0.00000000 0.13552565 0.69695278 1.0 B B9 1 0.00000000 0.86616502 0.30352058 1.0 B B10 1 0.29887481 0.22032292 0.11889866 1.0 B B11 1 0.29845193 0.77917606 0.88210310 1.0 B B12 1 0.70066915 0.72068297 0.38175189 1.0 B B13 1 0.70145122 0.27801211 0.61671165 1.0 B B14 1 0.70154807 0.77917606 0.88210310 1.0 B B15 1 0.70112519 0.22032292 0.11889866 1.0 B B16 1 0.29854878 0.27801211 0.61671165 1.0 B B17 1 0.29933085 0.72068297 0.38175189 1.0 B B18 1 0.00000000 0.05927686 0.19331327 1.0 B B19 1 0.00000000 0.94270715 0.80823935 1.0 B B20 1 0.00000000 0.55931815 0.30703426 1.0 B B21 1 0.00000000 0.44226382 0.69098138 1.0 B B22 1 0.00000000 0.36550043 0.19727387 1.0 B B23 1 0.00000000 0.63555652 0.80237741 1.0 Ru Ru24 1 0.00000000 0.49611786 0.49812330 1.0 Ru Ru25 1 0.00000000 0.00011144 0.00023154 1.0