data_[Li4Tb4I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tb  1.1000  1.7500  0.9815
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.6491]
_cell_length_b [19.1127]
_cell_length_c [7.5868]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.1573]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiTbI4]
_chemical_formula_sum '[Li4 Tb4 I16]'
_cell_volume [1037.8219]
_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
[
  Li  Li0  4  0.0000  0.4199  0.2500  1.0
  Tb  Tb1  4  0.0000  0.0730  0.7500  1.0
  I  I2  8  0.2439  0.3257  0.2457  1.0
  I  I3  8  0.2474  0.0482  0.2381  1.0
]