data_[Ce8Sn2Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sn  1.9600  1.4500  0.8300
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.4259]
_cell_length_b [6.6684]
_cell_length_c [8.3744]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.4298]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ce4SnRu]
_chemical_formula_sum '[Ce8 Sn2 Ru2]'
_cell_volume [301.0952]
_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  0.2882  0.5359  0.2622  1
  Ce  Ce1  2  0.2100  0.2500  0.5275  1
  Ce  Ce2  2  0.2173  0.7500  0.8771  1
  Sn  Sn3  2  0.2451  0.2500  0.9169  1
  Ru  Ru4  2  0.2643  0.7500  0.5955  1
]