data_[Ce4Er12Ru12]
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/m]
_cell_length_a [9.6043]
_cell_length_b [9.6739]
_cell_length_c [6.7400]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.8598]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce(ErRu)3]
_chemical_formula_sum '[Ce4 Er12 Ru12]'
_cell_volume [625.8888]
_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  0.2361  0.0000  0.1032  1
  Er  Er1  4  0.0000  0.1846  0.5000  1
  Er  Er2  4  0.0000  0.2681  0.0000  1
  Er  Er3  4  0.1834  0.5000  0.4140  1
  Ru  Ru4  8  0.2477  0.2564  0.7450  1
  Ru  Ru5  4  0.0677  0.0000  0.8077  1
]