data_[Tm2Pu2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Pu  1.2800  1.7500  0.9675
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [14.4486]
_cell_length_b [4.1625]
_cell_length_c [19.2695]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TmPuI4]
_chemical_formula_sum '[Tm2 Pu2 I8]'
_cell_volume [1158.8987]
_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
[
  Tm  Tm0  2  0.1482  0.7500  0.4983  1
  Pu  Pu1  2  0.3700  0.2500  0.5009  1
  I  I2  2  0.0417  0.2500  0.5857  1
  I  I3  2  0.2022  0.2500  0.3908  1
  I  I4  2  0.2886  0.7500  0.6108  1
  I  I5  2  0.4581  0.7500  0.3966  1
]