# generated using pymatgen data_KCe(NdB12)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.17290476 _cell_length_b 7.17290555 _cell_length_c 5.87637363 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.36099798 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCe(NdB12)2 _chemical_formula_sum 'K1 Ce1 Nd2 B24' _cell_volume 285.24483982 _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 K K0 1 0.00000000 0.00000000 0.00000000 1.0 Ce Ce1 1 0.50000000 0.50000000 0.00000000 1.0 Nd Nd2 1 0.75239846 0.24760154 0.50000000 1.0 Nd Nd3 1 0.24760154 0.75239846 0.50000000 1.0 B B4 1 0.17633633 0.32580515 0.64974030 1.0 B B5 1 0.92412628 0.57428991 0.14889813 1.0 B B6 1 0.67419485 0.82366367 0.64974030 1.0 B B7 1 0.42571009 0.07587372 0.14889813 1.0 B B8 1 0.17633633 0.32580515 0.35025970 1.0 B B9 1 0.92412628 0.57428991 0.85110187 1.0 B B10 1 0.67419485 0.82366367 0.35025970 1.0 B B11 1 0.42571009 0.07587372 0.85110187 1.0 B B12 1 0.40021869 0.40021869 0.50000000 1.0 B B13 1 0.14819446 0.65093408 0.00000000 1.0 B B14 1 0.89880474 0.89880474 0.50000000 1.0 B B15 1 0.65093408 0.14819446 0.00000000 1.0 B B16 1 0.32580515 0.17633633 0.64974030 1.0 B B17 1 0.07587372 0.42571009 0.14889813 1.0 B B18 1 0.82366367 0.67419485 0.64974030 1.0 B B19 1 0.57428991 0.92412628 0.14889813 1.0 B B20 1 0.10119526 0.10119526 0.50000000 1.0 B B21 1 0.85180554 0.34906592 0.00000000 1.0 B B22 1 0.59978131 0.59978131 0.50000000 1.0 B B23 1 0.34906592 0.85180554 0.00000000 1.0 B B24 1 0.32580515 0.17633633 0.35025970 1.0 B B25 1 0.07587372 0.42571009 0.85110187 1.0 B B26 1 0.82366367 0.67419485 0.35025970 1.0 B B27 1 0.57428991 0.92412628 0.85110187 1.0