data_[Tb8Ni2I10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ni  1.9100  1.3500  0.7400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.3767]
_cell_length_b [4.0993]
_cell_length_c [8.8658]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5480]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb4NiI5]
_chemical_formula_sum '[Tb8 Ni2 I10]'
_cell_volume [687.3933]
_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
[
  Tb  Tb0  4  0.0002  0.0000  0.8001  1.0
  Tb  Tb1  4  0.1409  0.5000  0.0729  1.0
  Ni  Ni2  2  0.0000  0.5000  0.0000  1.0
  I  I3  4  0.1675  0.0000  0.3458  1.0
  I  I4  4  0.1766  0.0000  0.8277  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]