data_[La20Ag12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3294]
_cell_length_b [17.9206]
_cell_length_c [8.8354]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1364]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La5Ag3]
_chemical_formula_sum '[La20 Ag12]'
_cell_volume [967.4105]
_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  8  0.1309  0.1836  0.1984  1.0
  La  La1  8  0.1891  0.3996  0.3572  1.0
  La  La2  4  0.2430  0.5000  0.9592  1.0
  Ag  Ag3  4  0.0000  0.2498  0.5000  1.0
  Ag  Ag4  4  0.0000  0.3373  0.0000  1.0
  Ag  Ag5  4  0.1202  0.0000  0.3422  1.0
]