# generated using pymatgen data_Nd3Cu5(Ni4B)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05992978 _cell_length_b 5.05992977 _cell_length_c 10.83845096 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.82060781 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd3Cu5(Ni4B)2 _chemical_formula_sum 'Nd3 Cu5 Ni8 B2' _cell_volume 240.75153025 _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 Nd Nd0 1 0.00000000 0.00000000 0.67130908 1.0 Nd Nd1 1 0.00000000 0.00000000 0.32869092 1.0 Nd Nd2 1 0.00000000 0.00000000 0.00000000 1.0 Cu Cu3 1 0.50000000 0.50000000 0.50000000 1.0 Cu Cu4 1 0.33202165 0.66797835 0.31651532 1.0 Cu Cu5 1 0.66797835 0.33202165 0.31651532 1.0 Cu Cu6 1 0.66797835 0.33202165 0.68348468 1.0 Cu Cu7 1 0.33202165 0.66797835 0.68348468 1.0 Ni Ni8 1 0.00000000 0.50000000 0.87020002 1.0 Ni Ni9 1 0.50000000 0.00000000 0.50000000 1.0 Ni Ni10 1 0.00000000 0.50000000 0.50000000 1.0 Ni Ni11 1 0.50000000 0.00000000 0.12979998 1.0 Ni Ni12 1 0.50000000 0.50000000 0.12957283 1.0 Ni Ni13 1 0.00000000 0.50000000 0.12979998 1.0 Ni Ni14 1 0.50000000 0.00000000 0.87020002 1.0 Ni Ni15 1 0.50000000 0.50000000 0.87042717 1.0 B B16 1 0.66668373 0.33331627 0.00000000 1.0 B B17 1 0.33331627 0.66668373 0.00000000 1.0