data_[La6Al2Ag4]
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 [P-3m1]
_cell_length_a [5.4102]
_cell_length_b [5.4102]
_cell_length_c [13.2824]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [La3AlAg2]
_chemical_formula_sum '[La6 Al2 Ag4]'
_cell_volume [336.6941]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.2502  1
  La  La1  2  0.3333  0.6667  0.4195  1
  La  La2  2  0.3333  0.6667  0.9179  1
  Al  Al3  2  0.3333  0.6667  0.6691  1
  Ag  Ag4  2  0.3333  0.6667  0.1738  1
  Ag  Ag5  1  0.0000  0.0000  0.0000  1
  Ag  Ag6  1  0.0000  0.0000  0.5000  1
]