data_[Tb1Gd1Fe2I2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Gd  1.2000  1.8000  1.0750
  Fe  1.8300  1.4000  0.8525
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.9704]
_cell_length_b [3.9704]
_cell_length_c [12.6456]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [TbGd(FeI)2]
_chemical_formula_sum '[Tb1 Gd1 Fe2 I2]'
_cell_volume [172.6383]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.8468  1
  Gd  Gd1  1  0.0000  0.0000  0.1534  1
  Fe  Fe2  1  0.3333  0.6667  0.9971  1
  Fe  Fe3  1  0.6667  0.3333  0.0020  1
  I  I4  1  0.3333  0.6667  0.3246  1
  I  I5  1  0.6667  0.3333  0.6761  1
]