data_[Tb4Cd36Cu8]
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 [I4_1/amd]
_cell_length_a [11.6819]
_cell_length_b [11.6819]
_cell_length_c [7.3675]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [141]
_chemical_formula_structural [TbCd9Cu2]
_chemical_formula_sum '[Tb4 Cd36 Cu8]'
_cell_volume [1005.4137]
_cell_formula_units_Z [4]
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  0.0000  0.0000  0.5000  1
  Cd  Cd1  32  0.1208  0.1957  0.8031  1
  Cd  Cd2  4  0.0000  0.0000  0.0000  1
  Cu  Cu3  8  0.0000  0.2500  0.1250  1
]