# generated using pymatgen data_SmAgAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.99809430 _cell_length_b 3.99811433 _cell_length_c 10.60961877 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmAgAs2 _chemical_formula_sum 'Sm2 Ag2 As4' _cell_volume 169.59303848 _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 Sm Sm0 1 0.25000000 0.25000000 0.22634017 1.0 Sm Sm1 1 0.75000000 0.75000000 0.77365983 1.0 Ag Ag2 1 0.25000000 0.75000000 0.50000396 1.0 Ag Ag3 1 0.75000000 0.25000000 0.49999604 1.0 As As4 1 0.25000000 0.25000000 0.67922381 1.0 As As5 1 0.75000000 0.75000000 0.32077619 1.0 As As6 1 0.25000000 0.75000000 0.00005897 1.0 As As7 1 0.75000000 0.25000000 -0.00005897 1.0