# generated using pymatgen data_Pr3Th(B10Ir)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22643278 _cell_length_b 5.74619847 _cell_length_c 11.49126611 _cell_angle_alpha 90.05468117 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr3Th(B10Ir)2 _chemical_formula_sum 'Pr3 Th1 B20 Ir2' _cell_volume 279.07586035 _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 0.29364738 0.86647821 1.0 Pr Pr1 1 0.50000000 0.70696368 0.13374017 1.0 Pr Pr2 1 0.50000000 0.79542516 0.63540908 1.0 Th Th3 1 0.50000000 0.20728116 0.36637537 1.0 B B4 1 0.00000000 0.11726718 0.54312301 1.0 B B5 1 0.00000000 0.87988970 0.45693139 1.0 B B6 1 0.00000000 0.61927014 0.95671752 1.0 B B7 1 0.00000000 0.38054161 0.04354864 1.0 B B8 1 0.00000000 0.13898301 0.69690940 1.0 B B9 1 0.00000000 0.86371948 0.30365280 1.0 B B10 1 0.30017473 0.21695638 0.11870658 1.0 B B11 1 0.29977872 0.78276965 0.88202849 1.0 B B12 1 0.69918118 0.71646760 0.38098593 1.0 B B13 1 0.69972442 0.28216187 0.61801992 1.0 B B14 1 0.70022128 0.78276965 0.88202849 1.0 B B15 1 0.69982527 0.21695638 0.11870658 1.0 B B16 1 0.30027558 0.28216187 0.61801992 1.0 B B17 1 0.30081882 0.71646760 0.38098593 1.0 B B18 1 0.00000000 0.05580761 0.19312631 1.0 B B19 1 0.00000000 0.94582622 0.80794211 1.0 B B20 1 0.00000000 0.55560626 0.30657556 1.0 B B21 1 0.00000000 0.44582544 0.69178958 1.0 B B22 1 0.00000000 0.36212472 0.19686509 1.0 B B23 1 0.00000000 0.63920838 0.80299757 1.0 Ir Ir24 1 0.00000000 0.49592368 0.49821907 1.0 Ir Ir25 1 0.00000000 0.99998321 0.00011528 1.0