data_[Tb4Mn2I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Mn  1.5500  1.4000  0.6483
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.7726]
_cell_length_b [4.0912]
_cell_length_c [11.1608]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.2532]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2MnI8]
_chemical_formula_sum '[Tb4 Mn2 I16]'
_cell_volume [992.5510]
_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  0.1501  0.0000  0.2576  1
  Mn  Mn1  2  0.0000  0.5000  0.0000  1
  I  I2  4  0.0016  0.0000  0.8191  1
  I  I3  4  0.0974  0.5000  0.4291  1
  I  I4  4  0.1345  0.5000  0.0398  1
  I  I5  4  0.2428  0.0000  0.7057  1
]