data_[La20Ag8Ru8]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [15.8335]
_cell_length_b [7.9684]
_cell_length_c [7.9112]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [La5(AgRu)2]
_chemical_formula_sum '[La20 Ag8 Ru8]'
_cell_volume [998.1342]
_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  16  0.1211  0.1708  0.3316  1
  La  La1  4  0.0000  0.0000  0.0000  1
  Ag  Ag2  8  0.2136  0.0000  0.0000  1
  Ru  Ru3  8  0.0000  0.1414  0.6411  1
]