data_[Ce6Sb2Ru2]
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 [8.0112]
_cell_length_b [4.4848]
_cell_length_c [8.4445]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.6581]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ce3SbRu]
_chemical_formula_sum '[Ce6 Sb2 Ru2]'
_cell_volume [271.1475]
_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  0.0327  0.7500  0.2318  1.0
  Ce  Ce1  2  0.3436  0.7500  0.9154  1.0
  Ce  Ce2  2  0.3479  0.2500  0.5951  1.0
  Sb  Sb3  2  0.3086  0.2500  0.1894  1.0
  Ru  Ru4  2  0.1053  0.7500  0.6194  1.0
]