data_[La20Ru8]
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 [C2/c]
_cell_length_a [16.8543]
_cell_length_b [6.7223]
_cell_length_c [7.3985]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.3151]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La5Ru2]
_chemical_formula_sum '[La20 Ru8]'
_cell_volume [834.6445]
_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  0.0931  0.1090  0.4044  1
  La  La1  8  0.2146  0.4241  0.8202  1
  La  La2  4  0.0000  0.4207  0.7500  1
  Ru  Ru3  8  0.1114  0.2854  0.0804  1
]