# generated using pymatgen data_Ce15B8N25 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.04927751 _cell_length_b 11.04927751 _cell_length_c 11.04927696 _cell_angle_alpha 79.23291852 _cell_angle_beta 79.23291852 _cell_angle_gamma 79.23291915 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce15B8N25 _chemical_formula_sum 'Ce30 B16 N50' _cell_volume 1285.65797018 _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 Ce Ce0 1 0.69988400 0.58480500 0.40607000 1.0 Ce Ce1 1 0.85001300 0.09860900 0.57260800 1.0 Ce Ce2 1 0.09393000 0.91519500 0.80011600 1.0 Ce Ce3 1 0.41519500 0.59393000 0.30011600 1.0 Ce Ce4 1 0.35001300 0.07260800 0.59860900 1.0 Ce Ce5 1 0.59393000 0.30011600 0.41519500 1.0 Ce Ce6 1 0.89392300 0.75000000 0.60607700 1.0 Ce Ce7 1 0.59860900 0.35001300 0.07260800 1.0 Ce Ce8 1 0.58480500 0.40607000 0.69988400 1.0 Ce Ce9 1 0.75000000 0.60607700 0.89392300 1.0 Ce Ce10 1 0.30011600 0.41519500 0.59393000 1.0 Ce Ce11 1 0.40139100 0.64998700 0.92739200 1.0 Ce Ce12 1 0.25000000 0.39392300 0.10607700 1.0 Ce Ce13 1 0.39392300 0.10607700 0.25000000 1.0 Ce Ce14 1 0.42739200 0.14998700 0.90139100 1.0 Ce Ce15 1 0.64998700 0.92739200 0.40139100 1.0 Ce Ce16 1 0.60607700 0.89392300 0.75000000 1.0 Ce Ce17 1 0.57260800 0.85001300 0.09860900 1.0 Ce Ce18 1 0.92739200 0.40139100 0.64998700 1.0 Ce Ce19 1 0.90607000 0.08480500 0.19988400 1.0 Ce Ce20 1 0.80011600 0.09393000 0.91519500 1.0 Ce Ce21 1 0.08480500 0.19988400 0.90607000 1.0 Ce Ce22 1 0.19988400 0.90607000 0.08480500 1.0 Ce Ce23 1 0.10607700 0.25000000 0.39392300 1.0 Ce Ce24 1 0.90139100 0.42739200 0.14998700 1.0 Ce Ce25 1 0.40607000 0.69988400 0.58480500 1.0 Ce Ce26 1 0.07260800 0.59860900 0.35001300 1.0 Ce Ce27 1 0.14998700 0.90139100 0.42739200 1.0 Ce Ce28 1 0.09860900 0.57260800 0.85001300 1.0 Ce Ce29 1 0.91519500 0.80011600 0.09393000 1.0 B B30 1 0.65804300 0.65804300 0.65804300 1.0 B B31 1 0.15168800 0.64670000 0.06181900 1.0 B B32 1 0.56181900 0.14670000 0.65168800 1.0 B B33 1 0.43818100 0.85330000 0.34831200 1.0 B B34 1 0.14670000 0.65168800 0.56181900 1.0 B B35 1 0.15804300 0.15804300 0.15804300 1.0 B B36 1 0.93818100 0.84831200 0.35330000 1.0 B B37 1 0.34195700 0.34195700 0.34195700 1.0 B B38 1 0.35330000 0.93818100 0.84831200 1.0 B B39 1 0.84195700 0.84195700 0.84195700 1.0 B B40 1 0.65168800 0.56181900 0.14670000 1.0 B B41 1 0.84831200 0.35330000 0.93818100 1.0 B B42 1 0.06181900 0.15168800 0.64670000 1.0 B B43 1 0.64670000 0.06181900 0.15168800 1.0 B B44 1 0.85330000 0.34831200 0.43818100 1.0 B B45 1 0.34831200 0.43818100 0.85330000 1.0 N N46 1 0.93567800 0.44353000 0.40223500 1.0 N N47 1 0.65238400 0.45566700 0.24675800 1.0 N N48 1 0.13337900 0.25758300 0.63002400 1.0 N N49 1 0.15238400 0.74675800 0.95566700 1.0 N N50 1 0.90223500 0.94353000 0.43567800 1.0 N N51 1 0.25324200 0.04433300 0.84761600 1.0 N N52 1 0.25908900 0.52940700 0.23623500 1.0 N N53 1 0.47059300 0.76376500 0.74091100 1.0 N N54 1 0.36662100 0.86997600 0.24241700 1.0 N N55 1 0.36997600 0.86662100 0.74241700 1.0 N N56 1 0.56432200 0.09776500 0.05647000 1.0 N N57 1 0.13002400 0.75758300 0.63337900 1.0 N N58 1 0.74675800 0.95566700 0.15238400 1.0 N N59 1 0.24091100 0.26376500 0.97059300 1.0 N N60 1 0.95566700 0.15238400 0.74675800 1.0 N N61 1 0.74241700 0.36997600 0.86662100 1.0 N N62 1 0.75758300 0.63337900 0.13002400 1.0 N N63 1 0.34761600 0.54433300 0.75324200 1.0 N N64 1 0.94353000 0.43567800 0.90223500 1.0 N N65 1 0.97059300 0.24091100 0.26376500 1.0 N N66 1 0.04433300 0.84761600 0.25324200 1.0 N N67 1 0.23623500 0.25908900 0.52940700 1.0 N N68 1 0.54433300 0.75324200 0.34761600 1.0 N N69 1 0.75908900 0.73623500 0.02940700 1.0 N N70 1 0.00000000 0.00000000 0.00000000 1.0 N N71 1 0.05647000 0.56432200 0.09776500 1.0 N N72 1 0.45566700 0.24675800 0.65238400 1.0 N N73 1 0.73623500 0.02940700 0.75908900 1.0 N N74 1 0.75324200 0.34761600 0.54433300 1.0 N N75 1 0.63002400 0.13337900 0.25758300 1.0 N N76 1 0.52940700 0.23623500 0.25908900 1.0 N N77 1 0.86662100 0.74241700 0.36997600 1.0 N N78 1 0.86997600 0.24241700 0.36662100 1.0 N N79 1 0.40223500 0.93567800 0.44353000 1.0 N N80 1 0.02940700 0.75908900 0.73623500 1.0 N N81 1 0.44353000 0.40223500 0.93567800 1.0 N N82 1 0.59776500 0.06432200 0.55647000 1.0 N N83 1 0.63337900 0.13002400 0.75758300 1.0 N N84 1 0.55647000 0.59776500 0.06432200 1.0 N N85 1 0.24241700 0.36662100 0.86997600 1.0 N N86 1 0.24675800 0.65238400 0.45566700 1.0 N N87 1 0.06432200 0.55647000 0.59776500 1.0 N N88 1 0.50000000 0.50000000 0.50000000 1.0 N N89 1 0.74091100 0.47059300 0.76376500 1.0 N N90 1 0.84761600 0.25324200 0.04433300 1.0 N N91 1 0.43567800 0.90223500 0.94353000 1.0 N N92 1 0.09776500 0.05647000 0.56432200 1.0 N N93 1 0.25758300 0.63002400 0.13337900 1.0 N N94 1 0.26376500 0.97059300 0.24091100 1.0 N N95 1 0.76376500 0.74091100 0.47059300 1.0