# generated using pymatgen data_SmAgAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00142670 _cell_length_b 4.03531390 _cell_length_c 21.20234908 _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 'Sm4 Ag4 As8' _cell_volume 342.35460161 _cell_formula_units_Z 4 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 0.75000000 0.23005723 0.11435298 1.0 Sm Sm1 1 0.25000000 0.73005723 0.38564702 1.0 Sm Sm2 1 0.75000000 0.26994277 0.61435298 1.0 Sm Sm3 1 0.25000000 0.76994277 0.88564702 1.0 Ag Ag4 1 0.25000000 0.22827670 0.25000877 1.0 Ag Ag5 1 0.75000000 0.72827670 0.24999123 1.0 Ag Ag6 1 0.25000000 0.27172330 0.75000877 1.0 Ag Ag7 1 0.75000000 0.77172330 0.74999123 1.0 As As8 1 0.25000000 0.72878083 0.15993993 1.0 As As9 1 0.75000000 0.22878083 0.34006007 1.0 As As10 1 0.25000000 0.77121917 0.65993993 1.0 As As11 1 0.75000000 0.27121917 0.84006007 1.0 As As12 1 0.75000000 0.70244842 0.00167142 1.0 As As13 1 0.25000000 0.20244842 0.49832858 1.0 As As14 1 0.75000000 0.79755158 0.50167142 1.0 As As15 1 0.25000000 0.29755158 0.99832858 1.0