data_[La16Ag4Ru2]
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 [C2/m]
_cell_length_a [18.3622]
_cell_length_b [5.5374]
_cell_length_c [7.1270]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4035]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La8Ag2Ru]
_chemical_formula_sum '[La16 Ag4 Ru2]'
_cell_volume [687.6084]
_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  0.0184  0.0000  0.7981  1.0
  La  La1  4  0.0888  0.5000  0.4358  1.0
  La  La2  4  0.1567  0.5000  0.9868  1.0
  La  La3  4  0.2061  0.0000  0.3131  1.0
  Ag  Ag4  4  0.1744  0.0000  0.7174  1.0
  Ru  Ru5  2  0.0000  0.5000  0.0000  1.0
]