data_[Tb2Zn22Fe2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Zn  1.6500  1.3500  0.8800
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.1686]
_cell_length_b [12.5235]
_cell_length_c [6.7572]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.4534]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbZn11Fe]
_chemical_formula_sum '[Tb2 Zn22 Fe2]'
_cell_volume [404.2252]
_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  0.0000  1
  Zn  Zn1  8  0.1156  0.6085  0.2203  1
  Zn  Zn2  8  0.1601  0.1724  0.3567  1
  Zn  Zn3  4  0.2500  0.2500  0.0000  1
  Zn  Zn4  2  0.0000  0.5000  0.5000  1
  Fe  Fe5  2  0.0000  0.0000  0.5000  1
]