# generated using pymatgen data_Pr(Ni2B)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.00419494 _cell_length_b 6.00419494 _cell_length_c 10.98928582 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 104.69115487 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr(Ni2B)6 _chemical_formula_sum 'Pr2 Ni24 B12' _cell_volume 383.21573207 _cell_formula_units_Z 2 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 0.83296473 0.83296473 0.49864284 1.0 Pr Pr1 1 0.16703527 0.16703527 0.99864284 1.0 Ni Ni2 1 0.56945367 0.56945367 0.91622630 1.0 Ni Ni3 1 0.43054633 0.43054633 0.41622630 1.0 Ni Ni4 1 0.77651559 0.77651559 0.09948273 1.0 Ni Ni5 1 0.22348441 0.22348441 0.59948273 1.0 Ni Ni6 1 0.53925959 0.80460685 0.73538075 1.0 Ni Ni7 1 0.80460685 0.53925959 0.73538075 1.0 Ni Ni8 1 0.46074041 0.19539315 0.23538075 1.0 Ni Ni9 1 0.19539315 0.46074041 0.23538075 1.0 Ni Ni10 1 0.14683680 0.87944648 0.75581448 1.0 Ni Ni11 1 0.87944648 0.14683680 0.75581448 1.0 Ni Ni12 1 0.85316320 0.12055352 0.25581448 1.0 Ni Ni13 1 0.12055352 0.85316320 0.25581448 1.0 Ni Ni14 1 0.65677054 0.27535725 0.56720021 1.0 Ni Ni15 1 0.27535725 0.65677054 0.56720021 1.0 Ni Ni16 1 0.34322946 0.72464275 0.06720021 1.0 Ni Ni17 1 0.72464275 0.34322946 0.06720021 1.0 Ni Ni18 1 0.62940904 0.99306987 0.93734911 1.0 Ni Ni19 1 0.99306987 0.62940904 0.93734911 1.0 Ni Ni20 1 0.37059096 0.00693013 0.43734911 1.0 Ni Ni21 1 0.00693013 0.37059096 0.43734911 1.0 Ni Ni22 1 0.47450461 0.21034014 0.77446031 1.0 Ni Ni23 1 0.21034014 0.47450461 0.77446031 1.0 Ni Ni24 1 0.52549539 0.78965986 0.27446031 1.0 Ni Ni25 1 0.78965986 0.52549539 0.27446031 1.0 B B26 1 0.83616656 0.83616656 0.83299563 1.0 B B27 1 0.16383344 0.16383344 0.33299563 1.0 B B28 1 0.48725770 0.48725770 0.65979441 1.0 B B29 1 0.51274230 0.51274230 0.15979441 1.0 B B30 1 0.32319163 0.75105407 0.88583169 1.0 B B31 1 0.75105407 0.32319163 0.88583169 1.0 B B32 1 0.67680837 0.24894593 0.38583169 1.0 B B33 1 0.24894593 0.67680837 0.38583169 1.0 B B34 1 0.39865240 0.98655484 0.62189298 1.0 B B35 1 0.98655484 0.39865240 0.62189298 1.0 B B36 1 0.60134760 0.01344516 0.12189298 1.0 B B37 1 0.01344516 0.60134760 0.12189298 1.0