data_[Sm36Cu3Ag18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Cu  1.9000  1.3500  0.8200
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.2627]
_cell_length_b [11.2627]
_cell_length_c [14.1997]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Sm12CuAg6]
_chemical_formula_sum '[Sm36 Cu3 Ag18]'
_cell_volume [1559.9064]
_cell_formula_units_Z [3]
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  18  0.0260  0.8391  0.8350  1
  Sm  Sm1  18  0.0584  0.2059  0.4017  1
  Cu  Cu2  3  0.0000  0.0000  0.0000  1
  Ag  Ag3  18  0.0327  0.5983  0.7067  1
]