# generated using pymatgen data_Nd3Ni13B2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02312264 _cell_length_b 5.02312264 _cell_length_c 10.92091200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000846 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd3Ni13B2 _chemical_formula_sum 'Nd3 Ni13 B2' _cell_volume 238.63660725 _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 0.67189300 1.0 Nd Nd1 1 0.00000000 0.00000000 0.32810700 1.0 Nd Nd2 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni3 1 0.00000000 0.50000000 0.86736700 1.0 Ni Ni4 1 0.50000000 0.00000000 0.50000000 1.0 Ni Ni5 1 0.50000000 0.50000000 0.50000000 1.0 Ni Ni6 1 0.00000000 0.50000000 0.50000000 1.0 Ni Ni7 1 0.33333300 0.66666700 0.31918400 1.0 Ni Ni8 1 0.66666700 0.33333300 0.31918400 1.0 Ni Ni9 1 0.66666700 0.33333300 0.68081600 1.0 Ni Ni10 1 0.33333300 0.66666700 0.68081600 1.0 Ni Ni11 1 0.50000000 0.00000000 0.13263300 1.0 Ni Ni12 1 0.50000000 0.50000000 0.13263300 1.0 Ni Ni13 1 0.00000000 0.50000000 0.13263300 1.0 Ni Ni14 1 0.50000000 0.00000000 0.86736700 1.0 Ni Ni15 1 0.50000000 0.50000000 0.86736700 1.0 B B16 1 0.66666700 0.33333300 0.00000000 1.0 B B17 1 0.33333300 0.66666700 0.00000000 1.0