data_[Sm16Rh4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Rh  2.2800  1.3500  0.7450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.8944]
_cell_length_b [13.7577]
_cell_length_c [6.2437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.5387]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sm4RhAu]
_chemical_formula_sum '[Sm16 Rh4 Au4]'
_cell_volume [664.7171]
_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  8  0.1220  0.8167  0.0896  1
  Sm  Sm1  8  0.2129  0.4334  0.8050  1
  Rh  Rh2  4  0.0000  0.0014  0.7500  1
  Au  Au3  4  0.0000  0.3737  0.2500  1
]