data_[Cs4Tb4Cu4I20]
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
  Cu  1.9000  1.3500  0.8200
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.3167]
_cell_length_b [13.4470]
_cell_length_c [11.4488]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.5593]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsTbCuI5]
_chemical_formula_sum '[Cs4 Tb4 Cu4 I20]'
_cell_volume [1455.8877]
_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
[
  Cs  Cs0  4  0.0000  0.3556  0.2500  1.0
  Tb  Tb1  4  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  4  0.0000  0.3082  0.7500  1.0
  I  I3  8  0.1059  0.2058  0.6124  1.0
  I  I4  8  0.1992  0.4190  0.9274  1.0
  I  I5  4  0.0000  0.0753  0.2500  1.0
]