data_[Tb6Cd6Cu6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Cd  1.6900  1.5500  1.0900
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [12.6732]
_cell_length_b [4.0544]
_cell_length_c [7.4792]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [TbCdCu]
_chemical_formula_sum '[Tb6 Cd6 Cu6]'
_cell_volume [384.3002]
_cell_formula_units_Z [6]
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  4  0.0426  0.0000  0.7650  1.0
  Tb  Tb1  2  0.2500  0.0000  0.1513  1.0
  Cd  Cd2  4  0.1204  0.5000  0.4326  1.0
  Cd  Cd3  2  0.2500  0.5000  0.8005  1.0
  Cu  Cu4  4  0.0920  0.5000  0.0572  1.0
  Cu  Cu5  2  0.2500  0.0000  0.5543  1.0
]