data_[Ce6Ag2Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ag  1.9300  1.6000  1.0867
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.4769]
_cell_length_b [5.5856]
_cell_length_c [8.6039]
_cell_angle_alpha [71.9285]
_cell_angle_beta [83.2103]
_cell_angle_gamma [70.1881]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ce3AgRu]
_chemical_formula_sum '[Ce6 Ag2 Ru2]'
_cell_volume [235.3905]
_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  0.1280  0.3298  0.4009  1.0
  Ce  Ce1  2  0.1683  0.9514  0.7085  1.0
  Ce  Ce2  2  0.3071  0.2994  0.9762  1.0
  Ag  Ag3  2  0.4265  0.7379  0.3629  1.0
  Ru  Ru4  2  0.1664  0.7268  0.0746  1.0
]