data_[La24Ru16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [11.3779]
_cell_length_b [14.0121]
_cell_length_c [6.5155]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [La3Ru2]
_chemical_formula_sum '[La24 Ru16]'
_cell_volume [1038.7645]
_cell_formula_units_Z [8]
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  0.0341  0.1283  0.4427  1
  La  La1  8  0.0000  0.0000  0.8992  1
  Ru  Ru2  16  0.0546  0.2001  0.8577  1
]