data_[Tb18Y9Ho6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Y  1.2200  1.8000  1.0400
  Ho  1.2300  1.7500  1.0410
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.5528]
_cell_length_b [3.5528]
_cell_length_c [96.7295]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tb6Y3Ho2]
_chemical_formula_sum '[Tb18 Y9 Ho6]'
_cell_volume [1057.3876]
_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
[
  Tb  Tb0  6  0.0000  0.0000  0.0913  1.0
  Tb  Tb1  6  0.0000  0.0000  0.1819  1.0
  Tb  Tb2  6  0.0000  0.0000  0.3638  1.0
  Y  Y3  6  0.0000  0.0000  0.2725  1.0
  Y  Y4  3  0.0000  0.0000  0.0000  1.0
  Ho  Ho5  6  0.0000  0.0000  0.4547  1.0
]