data_[Cs2Tb2Fe4Cl16]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8297]
_cell_length_b [7.3771]
_cell_length_c [10.2360]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.1729]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsTb(FeCl4)2]
_chemical_formula_sum '[Cs2 Tb2 Fe4 Cl16]'
_cell_volume [813.0339]
_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  0.1205  0.5000  0.7943  1
  Cl  Cl3  8  0.0109  0.2487  0.1916  1
  Cl  Cl4  4  0.1877  0.5000  0.5970  1
  Cl  Cl5  4  0.2467  0.0000  0.0130  1
]