data_[Tb6Be3Al9Cu36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Be  1.5700  1.0500  0.5900
  Al  1.6100  1.2500  0.6750
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.4482]
_cell_length_b [5.4482]
_cell_length_c [32.4716]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tb2Be(AlCu4)3]
_chemical_formula_sum '[Tb6 Be3 Al9 Cu36]'
_cell_volume [834.7168]
_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  0.3558  1
  Be  Be1  3  0.0000  0.0000  0.0000  1
  Al  Al2  9  0.0000  0.5000  0.5000  1
  Cu  Cu3  18  0.0139  0.5069  0.6124  1
  Cu  Cu4  18  0.0289  0.5145  0.1094  1
]