# generated using pymatgen data_Nd2AsS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.19948230 _cell_length_b 7.19948226 _cell_length_c 7.19948195 _cell_angle_alpha 33.81394657 _cell_angle_beta 33.81394919 _cell_angle_gamma 33.81394001 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd2AsS _chemical_formula_sum 'Nd2 As1 S1' _cell_volume 102.98112362 _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 0.24976442 0.24976442 0.24976442 1.0 Nd Nd1 1 0.75023558 0.75023558 0.75023558 1.0 As As2 1 0.00000000 0.00000000 0.00000000 1.0 S S3 1 0.50000000 0.50000000 0.50000000 1.0