data_[Cs2Tb2Fe4I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tb  1.1000  1.7500  0.9815
  Fe  1.8300  1.4000  0.8525
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.3044]
_cell_length_b [8.4015]
_cell_length_c [11.1546]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.2232]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsTb(FeI4)2]
_chemical_formula_sum '[Cs2 Tb2 Fe4 I16]'
_cell_volume [1143.9700]
_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
[
  Cs  Cs0  2  0.0000  0.0000  0.5000  1
  Tb  Tb1  2  0.0000  0.0000  0.0000  1
  Fe  Fe2  4  0.1173  0.5000  0.7921  1
  I  I3  8  0.0195  0.2527  0.2006  1
  I  I4  4  0.1884  0.5000  0.5866  1
  I  I5  4  0.2475  0.0000  0.0055  1
]