data_[La6Al8Ag4]
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 [11.1464]
_cell_length_b [4.6950]
_cell_length_c [9.0178]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5551]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3(Al2Ag)2]
_chemical_formula_sum '[La6 Al8 Ag4]'
_cell_volume [452.3620]
_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  4  0.1364  0.5000  0.6885  1.0
  La  La1  2  0.0000  0.0000  0.0000  1.0
  Al  Al2  4  0.0905  0.0000  0.4195  1.0
  Al  Al3  4  0.2250  0.5000  0.0635  1.0
  Ag  Ag4  4  0.1617  0.5000  0.3260  1.0
]