data_[Sm16Pd2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0243]
_cell_length_b [5.1254]
_cell_length_c [6.9739]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3810]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm8PdAu2]
_chemical_formula_sum '[Sm16 Pd2 Au4]'
_cell_volume [631.5957]
_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  4  0.0274  0.0000  0.7753  1.0
  Sm  Sm1  4  0.0888  0.5000  0.4491  1.0
  Sm  Sm2  4  0.1615  0.5000  0.9715  1.0
  Sm  Sm3  4  0.2028  0.0000  0.3293  1.0
  Pd  Pd4  2  0.0000  0.5000  0.0000  1.0
  Au  Au5  4  0.1918  0.0000  0.7425  1.0
]