data_[Ce12Co4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Co  1.8800  1.3500  0.7683
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.3377]
_cell_length_b [3.6903]
_cell_length_c [6.2519]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.5550]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3CoRu]
_chemical_formula_sum '[Ce12 Co4 Ru4]'
_cell_volume [439.9583]
_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  4  0.0005  0.0000  0.7760  1
  Ce  Ce1  4  0.1417  0.5000  0.0778  1
  Ce  Ce2  4  0.1812  0.0000  0.6107  1
  Co  Co3  4  0.2311  0.0000  0.1412  1
  Ru  Ru4  4  0.0793  0.5000  0.5242  1
]