data_[Ce2Si4Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Si  1.9000  1.1000  0.5400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.4521]
_cell_length_b [4.0870]
_cell_length_c [8.2439]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7303]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CeSi2Ru]
_chemical_formula_sum '[Ce2 Si4 Ru2]'
_cell_volume [146.3134]
_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  0.4108  0.2500  0.8008  1.0
  Si  Si1  2  0.0382  0.2500  0.0884  1.0
  Si  Si2  2  0.3348  0.7500  0.5079  1.0
  Ru  Ru3  2  0.1140  0.2500  0.3858  1.0
]