data_[Ce2Y4B4Ru10]
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
  B  2.0400  0.8500  0.4100
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.8284]
_cell_length_b [9.8284]
_cell_length_c [3.1974]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [CeY2B2Ru5]
_chemical_formula_sum '[Ce2 Y4 B4 Ru10]'
_cell_volume [308.8603]
_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  2  0.0000  0.0000  0.0000  1
  Y  Y1  4  0.1730  0.3270  0.0000  1
  B  B2  4  0.1199  0.6199  0.0000  1
  Ru  Ru3  8  0.0722  0.7763  0.5000  1
  Ru  Ru4  2  0.0000  0.5000  0.5000  1
]