data_[La4Al12Ag8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Al  1.6100  1.2500  0.6750
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.5316]
_cell_length_b [4.3670]
_cell_length_c [7.8995]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.9431]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaAl3Ag2]
_chemical_formula_sum '[La4 Al12 Ag8]'
_cell_volume [512.8195]
_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
[
  La  La0  4  0.1496  0.0000  0.0771  1.0
  Al  Al1  4  0.0306  0.0000  0.3672  1.0
  Al  Al2  4  0.1116  0.5000  0.7151  1.0
  Al  Al3  4  0.1862  0.5000  0.4505  1.0
  Ag  Ag4  4  0.0208  0.5000  0.1869  1.0
  Ag  Ag5  4  0.1904  0.0000  0.6725  1.0
]