# generated using pymatgen data_Nd3(MgSb3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33410067 _cell_length_b 11.29108765 _cell_length_c 13.04877903 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd3(MgSb3)2 _chemical_formula_sum 'Nd6 Mg4 Sb12' _cell_volume 638.56432295 _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 0.75000000 0.27381743 0.75000000 1.0 Nd Nd1 1 0.75000000 0.28104478 0.41276146 1.0 Nd Nd2 1 0.25000000 0.71895522 0.91276146 1.0 Nd Nd3 1 0.25000000 0.71895522 0.58723854 1.0 Nd Nd4 1 0.25000000 0.72618257 0.25000000 1.0 Nd Nd5 1 0.75000000 0.28104478 0.08723854 1.0 Mg Mg6 1 0.25000000 0.00388545 0.09825214 1.0 Mg Mg7 1 0.25000000 0.00388545 0.40174786 1.0 Mg Mg8 1 0.75000000 0.99611455 0.59825214 1.0 Mg Mg9 1 0.75000000 0.99611455 0.90174786 1.0 Sb Sb10 1 0.75000000 0.50565398 0.25000000 1.0 Sb Sb11 1 0.75000000 0.49688646 0.91634498 1.0 Sb Sb12 1 0.75000000 0.82086063 0.75000000 1.0 Sb Sb13 1 0.75000000 0.83641623 0.41848074 1.0 Sb Sb14 1 0.25000000 0.16358377 0.91848074 1.0 Sb Sb15 1 0.25000000 0.16358377 0.58151926 1.0 Sb Sb16 1 0.25000000 0.17913937 0.25000000 1.0 Sb Sb17 1 0.25000000 0.50311354 0.08365502 1.0 Sb Sb18 1 0.25000000 0.49434602 0.75000000 1.0 Sb Sb19 1 0.25000000 0.50311354 0.41634498 1.0 Sb Sb20 1 0.75000000 0.49688646 0.58365502 1.0 Sb Sb21 1 0.75000000 0.83641623 0.08151926 1.0