# generated using pymatgen data_NdAlSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.18069828 _cell_length_b 4.18069828 _cell_length_c 11.04566800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000447 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdAlSi2 _chemical_formula_sum 'Nd2 Al2 Si4' _cell_volume 167.19383121 _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 0.00000000 0.00000000 0.18092400 1.0 Nd Nd1 1 0.00000000 0.00000000 0.81907600 1.0 Al Al2 1 0.33333300 0.66666700 0.58661100 1.0 Al Al3 1 0.66666700 0.33333300 0.41338900 1.0 Si Si4 1 0.33333300 0.66666700 0.99484900 1.0 Si Si5 1 0.66666700 0.33333300 0.00515100 1.0 Si Si6 1 0.33333300 0.66666700 0.35430700 1.0 Si Si7 1 0.66666700 0.33333300 0.64569300 1.0