data_[Y8U8Ru20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  U  1.3800  1.7500  0.9913
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [12.4230]
_cell_length_b [8.0323]
_cell_length_c [7.1903]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Y2U2Ru5]
_chemical_formula_sum '[Y8 U8 Ru20]'
_cell_volume [717.4870]
_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
[
  Y  Y0  8  0.2255  0.0000  0.0000  1
  U  U1  8  0.0000  0.1185  0.3679  1
  Ru  Ru2  16  0.1183  0.1884  0.6984  1
  Ru  Ru3  4  0.0000  0.0000  0.0000  1
]