# generated using pymatgen data_Nd4GeI6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37051758 _cell_length_b 14.40443660 _cell_length_c 15.23067764 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd4GeI6 _chemical_formula_sum 'Nd8 Ge2 I12' _cell_volume 958.84492665 _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 0.50000000 0.11548180 0.34506485 1.0 Nd Nd1 1 0.50000000 0.88451820 0.65493515 1.0 Nd Nd2 1 0.50000000 0.61548180 0.15493515 1.0 Nd Nd3 1 0.50000000 0.38451820 0.84506485 1.0 Nd Nd4 1 0.00000000 0.11355367 0.57603984 1.0 Nd Nd5 1 0.00000000 0.88644633 0.42396016 1.0 Nd Nd6 1 0.00000000 0.61355367 0.92396016 1.0 Nd Nd7 1 0.00000000 0.38644633 0.07603984 1.0 Ge Ge8 1 0.50000000 0.00000000 0.50000000 1.0 Ge Ge9 1 0.50000000 0.50000000 0.00000000 1.0 I I10 1 0.50000000 0.24505699 0.16385948 1.0 I I11 1 0.50000000 0.75494301 0.83614052 1.0 I I12 1 0.50000000 0.74505699 0.33614052 1.0 I I13 1 0.50000000 0.25494301 0.66385948 1.0 I I14 1 0.00000000 0.25885367 0.41443695 1.0 I I15 1 0.00000000 0.74114633 0.58556305 1.0 I I16 1 0.00000000 0.75885367 0.08556305 1.0 I I17 1 0.00000000 0.24114633 0.91443695 1.0 I I18 1 0.00000000 0.99816847 0.23990475 1.0 I I19 1 0.00000000 0.00183153 0.76009525 1.0 I I20 1 0.00000000 0.49816847 0.26009525 1.0 I I21 1 0.00000000 0.50183153 0.73990475 1.0