data_[Ce8Er4Ru12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Er  1.2400  1.7500  1.0300
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.4390]
_cell_length_b [5.6504]
_cell_length_c [5.9033]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0173]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ce2ErRu3]
_chemical_formula_sum '[Ce8 Er4 Ru12]'
_cell_volume [483.8642]
_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  0.1740  0.4155  0.6061  1
  Er  Er1  4  0.0000  0.1570  0.7500  1
  Ru  Ru2  8  0.1621  0.0652  0.1425  1
  Ru  Ru3  4  0.0000  0.3545  0.2500  1
]