data_[Sm4Pd8Au8]
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/c]
_cell_length_a [10.3046]
_cell_length_b [4.9992]
_cell_length_c [7.9342]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8304]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sm(PdAu)2]
_chemical_formula_sum '[Sm4 Pd8 Au8]'
_cell_volume [382.0070]
_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  4  0.0000  0.3019  0.2500  1.0
  Pd  Pd1  8  0.1112  0.1783  0.9625  1.0
  Au  Au2  8  0.1884  0.3037  0.6562  1.0
]