data_[Li12Sm8Ag16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sm  1.1700  1.8500  1.2290
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [5.7558]
_cell_length_b [15.9582]
_cell_length_c [8.0976]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Li3(SmAg2)2]
_chemical_formula_sum '[Li12 Sm8 Ag16]'
_cell_volume [743.7832]
_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
[
  Li  Li0  8  0.2500  0.2198  0.7500  1
  Li  Li1  4  0.0000  0.0000  0.0000  1
  Sm  Sm2  8  0.0000  0.1114  0.4090  1
  Ag  Ag3  8  0.0000  0.1835  0.0291  1
  Ag  Ag4  8  0.2500  0.0550  0.7500  1
]