data_[Sm4Cd4Ag12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Cd  1.6900  1.5500  1.0900
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.5778]
_cell_length_b [4.9270]
_cell_length_c [9.3746]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [SmCdAg3]
_chemical_formula_sum '[Sm4 Cd4 Ag12]'
_cell_volume [442.3909]
_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  0.2323  0.2500  0.9889  1.0
  Cd  Cd1  4  0.0822  0.2500  0.6389  1.0
  Ag  Ag2  4  0.0796  0.7500  0.8498  1.0
  Ag  Ag3  4  0.1182  0.7500  0.1521  1.0
  Ag  Ag4  4  0.1310  0.2500  0.3406  1.0
]