data_[Ce8Er12Ru16]
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 [14.2385]
_cell_length_b [9.9959]
_cell_length_c [5.8748]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5428]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ce2Er3Ru4]
_chemical_formula_sum '[Ce8 Er12 Ru16]'
_cell_volume [816.1800]
_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  0.1877  0.3981  0.9621  1.0
  Er  Er1  8  0.0949  0.1079  0.5975  1.0
  Er  Er2  4  0.0000  0.3690  0.2500  1.0
  Ru  Ru3  8  0.1237  0.1836  0.1147  1.0
  Ru  Ru4  8  0.2016  0.3628  0.4900  1.0
]