data_[Tb4Al4Fe4]
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 [11.8943]
_cell_length_b [4.0242]
_cell_length_c [5.0506]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0806]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbAlFe]
_chemical_formula_sum '[Tb4 Al4 Fe4]'
_cell_volume [234.4857]
_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  0.1237  0.0000  0.3177  1.0
  Al  Al1  4  0.0848  0.5000  0.7939  1.0
  Fe  Fe2  4  0.2157  0.0000  0.8887  1.0
]