data_[Tb2Pr2I10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pr  1.1300  1.8500  1.0600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.3776]
_cell_length_b [4.2858]
_cell_length_c [14.9099]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.0533]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TbPrI5]
_chemical_formula_sum '[Tb2 Pr2 I10]'
_cell_volume [596.9139]
_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  0.4126  0.7500  0.3432  1
  Pr  Pr1  2  0.1056  0.2500  0.1500  1
  I  I2  2  0.0727  0.7500  0.3098  1
  I  I3  2  0.1375  0.2500  0.9276  1
  I  I4  2  0.3243  0.2500  0.4812  1
  I  I5  2  0.3567  0.7500  0.1301  1
  I  I6  2  0.3719  0.7500  0.7070  1
]