data_[Ce12Ga8Ru12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ga  1.8100  1.3000  0.7600
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4623]
_cell_length_b [10.8383]
_cell_length_c [13.1423]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ce3Ga2Ru3]
_chemical_formula_sum '[Ce12 Ga8 Ru12]'
_cell_volume [635.6059]
_cell_formula_units_Z [4]
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  8  0.0000  0.0724  0.6125  1.0
  Ce  Ce1  4  0.0000  0.3395  0.7500  1.0
  Ga  Ga2  8  0.0000  0.2311  0.0841  1.0
  Ru  Ru3  8  0.0000  0.3993  0.5682  1.0
  Ru  Ru4  4  0.0000  0.3908  0.2500  1.0
]