# generated using pymatgen data_Nd4S7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.61914122 _cell_length_b 5.61914018 _cell_length_c 8.06922031 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd4S7 _chemical_formula_sum 'Nd4 S7' _cell_volume 254.78355109 _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 0.24582953 0.24582953 0.27028344 1.0 Nd Nd1 1 0.75417047 0.75417047 0.27028344 1.0 Nd Nd2 1 0.24582953 0.75417047 0.72971656 1.0 Nd Nd3 1 0.75417047 0.24582953 0.72971656 1.0 S S4 1 0.25289657 0.25289657 0.63604527 1.0 S S5 1 0.74710343 0.74710343 0.63604527 1.0 S S6 1 0.25289657 0.74710343 0.36395473 1.0 S S7 1 0.74710343 0.25289657 0.36395473 1.0 S S8 1 0.00000000 0.00000000 -0.00000000 1.0 S S9 1 0.50000000 0.00000000 -0.00000000 1.0 S S10 1 0.00000000 0.50000000 -0.00000000 1.0