data_[La16Al2Ag4]
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 [18.7739]
_cell_length_b [5.2916]
_cell_length_c [7.5870]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9870]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La8AlAg2]
_chemical_formula_sum '[La16 Al2 Ag4]'
_cell_volume [703.7201]
_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  0.0220  0.0000  0.7730  1.0
  La  La1  4  0.0861  0.5000  0.4602  1.0
  La  La2  4  0.1703  0.5000  0.9807  1.0
  La  La3  4  0.1913  0.0000  0.3081  1.0
  Al  Al4  2  0.0000  0.5000  0.0000  1.0
  Ag  Ag5  4  0.1762  0.0000  0.7006  1.0
]