data_[La8Y24Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Y  1.2200  1.8000  1.0400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.2591]
_cell_length_b [13.6298]
_cell_length_c [6.2065]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3356]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LaY3Ru]
_chemical_formula_sum '[La8 Y24 Ru8]'
_cell_volume [1178.3821]
_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  4  0.0000  0.0589  0.7500  1.0
  La  La1  4  0.0000  0.2262  0.2500  1.0
  Y  Y2  8  0.0888  0.4180  0.9818  1.0
  Y  Y3  8  0.2070  0.2066  0.7164  1.0
  Y  Y4  8  0.2136  0.0554  0.2365  1.0
  Ru  Ru5  8  0.1240  0.3738  0.4705  1.0
]