data_[Na6Sm3Ag27]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sm  1.1700  1.8500  1.2290
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.6019]
_cell_length_b [5.6019]
_cell_length_c [28.5715]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Na2SmAg9]
_chemical_formula_sum '[Na6 Sm3 Ag27]'
_cell_volume [776.4907]
_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
[
  Na  Na0  6  0.0000  0.0000  0.1449  1.0
  Sm  Sm1  3  0.0000  0.0000  0.0000  1.0
  Ag  Ag2  18  0.0004  0.5002  0.9166  1.0
  Ag  Ag3  6  0.0000  0.0000  0.3326  1.0
  Ag  Ag4  3  -0.0000  -0.0000  0.5000  1.0
]