data_[Li12Sm8Au16]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [5.9823]
_cell_length_b [15.4494]
_cell_length_c [7.8049]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Li3(SmAu2)2]
_chemical_formula_sum '[Li12 Sm8 Au16]'
_cell_volume [721.3513]
_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  0.2144  0.7500  1.0
  Li  Li1  4  0.0000  0.0000  0.0000  1.0
  Sm  Sm2  8  0.0000  0.1147  0.4149  1.0
  Au  Au3  8  0.0000  0.1860  0.0403  1.0
  Au  Au4  8  0.2500  0.0456  0.7500  1.0
]