data_[Ce3Ho3Er6Ru12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ho  1.2300  1.7500  1.0410
  Er  1.2400  1.7500  1.0300
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.8247]
_cell_length_b [4.8247]
_cell_length_c [23.2655]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [CeHo(ErRu2)2]
_chemical_formula_sum '[Ce3 Ho3 Er6 Ru12]'
_cell_volume [469.0017]
_cell_formula_units_Z [3]
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  3  -0.0000  -0.0000  0.5000  1.0
  Ho  Ho1  3  0.0000  0.0000  0.0000  1.0
  Er  Er2  6  0.0000  0.0000  0.2526  1.0
  Ru  Ru3  6  0.0000  0.0000  0.1273  1.0
  Ru  Ru4  6  0.0000  0.0000  0.3789  1.0
]