# generated using pymatgen data_Nd3Cu6Ni7B2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08251533 _cell_length_b 5.08251562 _cell_length_c 10.84416549 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00673741 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd3Cu6Ni7B2 _chemical_formula_sum 'Nd3 Cu6 Ni7 B2' _cell_volume 242.57983694 _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 0.00000000 1.0 Nd Nd1 1 0.00000000 0.00000000 0.67774989 1.0 Nd Nd2 1 0.00000000 0.00000000 0.32225011 1.0 Cu Cu3 1 0.50000000 0.00000000 0.50000000 1.0 Cu Cu4 1 0.00000000 0.50000000 0.50000000 1.0 Cu Cu5 1 0.66519652 0.33480348 0.68475412 1.0 Cu Cu6 1 0.33480348 0.66519652 0.68475412 1.0 Cu Cu7 1 0.33480348 0.66519652 0.31524588 1.0 Cu Cu8 1 0.66519652 0.33480348 0.31524588 1.0 Ni Ni9 1 0.50000000 0.50000000 0.50000000 1.0 Ni Ni10 1 0.50000000 0.50000000 0.87119282 1.0 Ni Ni11 1 0.50000000 0.00000000 0.87072304 1.0 Ni Ni12 1 0.00000000 0.50000000 0.87072304 1.0 Ni Ni13 1 0.50000000 0.50000000 0.12880718 1.0 Ni Ni14 1 0.50000000 0.00000000 0.12927696 1.0 Ni Ni15 1 0.00000000 0.50000000 0.12927696 1.0 B B16 1 0.66716430 0.33283570 0.00000000 1.0 B B17 1 0.33283570 0.66716430 0.00000000 1.0