data_[Tb2Sc2I10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sc  1.3600  1.6000  0.8850
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [18.3581]
_cell_length_b [4.0418]
_cell_length_c [19.8499]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [TbScI5]
_chemical_formula_sum '[Tb2 Sc2 I10]'
_cell_volume [1472.8769]
_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  2  0.2500  0.0000  0.5086  1
  Sc  Sc1  2  0.0000  0.5000  0.5000  1
  I  I2  4  0.0521  0.0000  0.5932  1
  I  I3  4  0.1471  0.5000  0.4309  1
  I  I4  2  0.2500  0.5000  0.6222  1
]