data_[Ce8Sb2Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sb  2.0500  1.4500  0.8300
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.3920]
_cell_length_b [6.6560]
_cell_length_c [8.3995]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.9140]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ce4SbRu]
_chemical_formula_sum '[Ce8 Sb2 Ru2]'
_cell_volume [299.8433]
_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  4  0.2836  0.5362  0.2603  1
  Ce  Ce1  2  0.2135  0.2500  0.5270  1
  Ce  Ce2  2  0.2191  0.7500  0.8752  1
  Sb  Sb3  2  0.2457  0.2500  0.9147  1
  Ru  Ru4  2  0.2617  0.7500  0.5944  1
]