data_[Ce4Er8Ru8]
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 [11.4513]
_cell_length_b [5.2440]
_cell_length_c [8.7111]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.2508]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce(ErRu)2]
_chemical_formula_sum '[Ce4 Er8 Ru8]'
_cell_volume [476.9405]
_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  0.1861  0.5000  0.1053  1.0
  Er  Er1  4  0.0198  0.0000  0.2308  1.0
  Er  Er2  4  0.1502  0.5000  0.5095  1.0
  Ru  Ru3  4  0.1010  0.5000  0.8152  1.0
  Ru  Ru4  4  0.1429  0.0000  0.6054  1.0
]