data_[La16Ru24]
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 [10.4350]
_cell_length_b [15.3312]
_cell_length_c [5.6461]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [La2Ru3]
_chemical_formula_sum '[La16 Ru24]'
_cell_volume [903.2724]
_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  0.0841  0.2968  0.6391  1.0
  Ru  Ru1  16  0.0919  0.3716  0.1740  1.0
  Ru  Ru2  8  0.0000  0.0000  0.8737  1.0
]