data_[Tb2Al16Fe4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Al  1.6100  1.2500  0.6750
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.1974]
_cell_length_b [10.3920]
_cell_length_c [4.5894]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7221]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb(Al4Fe)2]
_chemical_formula_sum '[Tb2 Al16 Fe4]'
_cell_volume [381.3555]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.5000  1
  Al  Al1  8  0.2212  0.1318  0.0929  1
  Al  Al2  4  0.0000  0.2830  0.5000  1
  Al  Al3  4  0.1052  0.5000  0.2648  1
  Fe  Fe4  4  0.0000  0.2901  0.0000  1
]