data_[Tb8Zn2I10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Zn  1.6500  1.3500  0.8800
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.1278]
_cell_length_b [4.1255]
_cell_length_c [8.9853]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3139]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb4ZnI5]
_chemical_formula_sum '[Tb8 Zn2 I10]'
_cell_volume [692.7353]
_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  0.0003  0.0000  0.7833  1.0
  Tb  Tb1  4  0.1484  0.5000  0.0748  1.0
  Zn  Zn2  2  0.0000  0.5000  0.0000  1.0
  I  I3  4  0.1668  0.0000  0.3403  1.0
  I  I4  4  0.1742  0.0000  0.8268  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]