data_[Ce10Y10Ru12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Y  1.2200  1.8000  1.0400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [6.2330]
_cell_length_b [15.0106]
_cell_length_c [7.9872]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ce5Y5Ru6]
_chemical_formula_sum '[Ce10 Y10 Ru12]'
_cell_volume [747.2841]
_cell_formula_units_Z [2]
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
[
  Ce  Ce0  8  0.2484  0.1737  0.5020  1
  Ce  Ce1  2  0.5000  0.0000  0.2735  1
  Y  Y2  4  0.0000  0.1181  0.1222  1
  Y  Y3  4  0.5000  0.1188  0.8780  1
  Y  Y4  2  0.0000  0.0000  0.7414  1
  Ru  Ru5  4  0.0000  0.1989  0.7727  1
  Ru  Ru6  4  0.5000  0.1954  0.2270  1
  Ru  Ru7  2  0.0000  0.0000  0.3980  1
  Ru  Ru8  2  0.5000  0.0000  0.5791  1
]