data_[Tb36Ru3Rh18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ru  2.2000  1.3000  0.6610
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.4670]
_cell_length_b [12.4670]
_cell_length_c [11.4745]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Tb12RuRh6]
_chemical_formula_sum '[Tb36 Ru3 Rh18]'
_cell_volume [1544.5165]
_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  18  0.0263  0.8122  0.3905  1.0
  Tb  Tb1  18  0.0381  0.8358  0.8804  1.0
  Ru  Ru2  3  0.0000  0.0000  0.0000  1.0
  Rh  Rh3  18  0.0439  0.7802  0.6445  1.0
]