data_[Ce2Al8Ru1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Al  1.6100  1.2500  0.6750
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3353]
_cell_length_b [4.3353]
_cell_length_c [11.3731]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ce2Al8Ru]
_chemical_formula_sum '[Ce2 Al8 Ru1]'
_cell_volume [213.7587]
_cell_formula_units_Z [1]
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  0.3078  1.0
  Al  Al1  4  0.0000  0.5000  0.1183  1.0
  Al  Al2  2  0.0000  0.5000  0.5000  1.0
  Al  Al3  2  0.5000  0.5000  0.3064  1.0
  Ru  Ru4  1  0.0000  0.0000  0.0000  1.0
]