data_[Cs2Tb4I14]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [9.7996]
_cell_length_b [15.8849]
_cell_length_c [6.0816]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [CsTb2I7]
_chemical_formula_sum '[Cs2 Tb4 I14]'
_cell_volume [946.6905]
_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  0.0000  1.0
  Tb  Tb1  4  0.0000  0.3022  0.5000  1.0
  I  I2  8  0.1882  0.1405  0.5000  1.0
  I  I3  4  0.0000  0.2985  0.0000  1.0
  I  I4  2  0.0000  0.5000  0.5000  1.0
]