# generated using pymatgen data_Sm3Be(AsPd4)5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.84183228 _cell_length_b 8.75051539 _cell_length_c 8.75051489 _cell_angle_alpha 60.69161992 _cell_angle_beta 59.65418053 _cell_angle_gamma 59.65418210 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm3Be(AsPd4)5 _chemical_formula_sum 'Sm3 Be1 As5 Pd20' _cell_volume 478.62883139 _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 Sm Sm0 1 0.24811257 0.25188743 0.25188743 1.0 Sm Sm1 1 0.74811257 0.75188743 0.75188743 1.0 Sm Sm2 1 0.99687642 0.00312358 0.00312358 1.0 Be Be3 1 0.73016180 0.26983820 0.26983820 1.0 As As4 1 0.26469178 0.73530822 0.73530822 1.0 As As5 1 0.26479986 0.73520014 0.26411264 1.0 As As6 1 0.73588736 0.26411264 0.73520014 1.0 As As7 1 0.26479986 0.26411264 0.73520014 1.0 As As8 1 0.73588736 0.73520014 0.26411264 1.0 Pd Pd9 1 0.39410810 0.37858545 0.37858545 1.0 Pd Pd10 1 0.61933531 0.61564077 0.61564077 1.0 Pd Pd11 1 0.38435923 0.38066469 0.85061785 1.0 Pd Pd12 1 0.38435923 0.85061785 0.38066469 1.0 Pd Pd13 1 0.62141455 0.60589190 0.15127899 1.0 Pd Pd14 1 0.62141455 0.15127899 0.60589190 1.0 Pd Pd15 1 0.84872101 0.37858545 0.37858545 1.0 Pd Pd16 1 0.14938215 0.61564077 0.61564077 1.0 Pd Pd17 1 0.34497499 0.00387537 0.00387537 1.0 Pd Pd18 1 0.64727527 0.00387537 0.00387537 1.0 Pd Pd19 1 0.99612463 0.35272473 0.65502501 1.0 Pd Pd20 1 0.99612463 0.65502501 0.35272473 1.0 Pd Pd21 1 0.98787909 0.34195761 0.01212091 1.0 Pd Pd22 1 0.65804239 0.01212091 0.34195761 1.0 Pd Pd23 1 0.00198719 0.64636679 0.99801281 1.0 Pd Pd24 1 0.35363321 0.99801281 0.64636679 1.0 Pd Pd25 1 0.98787909 0.01212091 0.34195761 1.0 Pd Pd26 1 0.00198719 0.99801281 0.64636679 1.0 Pd Pd27 1 0.65804239 0.34195761 0.01212091 1.0 Pd Pd28 1 0.35363321 0.64636679 0.99801281 1.0