# generated using pymatgen data_Nd(Ni2B)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.06687854 _cell_length_b 6.06687854 _cell_length_c 11.04665600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 104.87423316 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd(Ni2B)6 _chemical_formula_sum 'Nd2 Ni24 B12' _cell_volume 392.97011465 _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 Nd Nd0 1 0.83529800 0.83529800 0.49843700 1.0 Nd Nd1 1 0.16470200 0.16470200 0.99843700 1.0 Ni Ni2 1 0.56611700 0.56611700 0.91832100 1.0 Ni Ni3 1 0.43388300 0.43388300 0.41832100 1.0 Ni Ni4 1 0.77882400 0.77882400 0.09961600 1.0 Ni Ni5 1 0.22117600 0.22117600 0.59961600 1.0 Ni Ni6 1 0.54173100 0.80445500 0.73463600 1.0 Ni Ni7 1 0.80445500 0.54173100 0.73463600 1.0 Ni Ni8 1 0.45826900 0.19554500 0.23463600 1.0 Ni Ni9 1 0.19554500 0.45826900 0.23463600 1.0 Ni Ni10 1 0.14565200 0.88101400 0.75566500 1.0 Ni Ni11 1 0.88101400 0.14565200 0.75566500 1.0 Ni Ni12 1 0.85434800 0.11898600 0.25566500 1.0 Ni Ni13 1 0.11898600 0.85434800 0.25566500 1.0 Ni Ni14 1 0.65994300 0.27306800 0.56781400 1.0 Ni Ni15 1 0.27306800 0.65994300 0.56781400 1.0 Ni Ni16 1 0.34005700 0.72693200 0.06781400 1.0 Ni Ni17 1 0.72693200 0.34005700 0.06781400 1.0 Ni Ni18 1 0.62897400 0.99440000 0.93682500 1.0 Ni Ni19 1 0.99440000 0.62897400 0.93682500 1.0 Ni Ni20 1 0.37102600 0.00560000 0.43682500 1.0 Ni Ni21 1 0.00560000 0.37102600 0.43682500 1.0 Ni Ni22 1 0.47414500 0.21204900 0.77495600 1.0 Ni Ni23 1 0.21204900 0.47414500 0.77495600 1.0 Ni Ni24 1 0.52585500 0.78795100 0.27495600 1.0 Ni Ni25 1 0.78795100 0.52585500 0.27495600 1.0 B B26 1 0.83556400 0.83556400 0.83549500 1.0 B B27 1 0.16443600 0.16443600 0.33549500 1.0 B B28 1 0.48857400 0.48857400 0.65478100 1.0 B B29 1 0.51142600 0.51142600 0.15478100 1.0 B B30 1 0.32411300 0.75277100 0.88569600 1.0 B B31 1 0.75277100 0.32411300 0.88569600 1.0 B B32 1 0.67588700 0.24722900 0.38569600 1.0 B B33 1 0.24722900 0.67588700 0.38569600 1.0 B B34 1 0.40107100 0.98800200 0.62258200 1.0 B B35 1 0.98800200 0.40107100 0.62258200 1.0 B B36 1 0.59892900 0.01199800 0.12258200 1.0 B B37 1 0.01199800 0.59892900 0.12258200 1.0