data_[Sm1Tl1Ge2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Tl  1.6200  1.9000  1.3325
  Ge  2.0100  1.2500  0.7700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.2502]
_cell_length_b [7.7256]
_cell_length_c [9.5784]
_cell_angle_alpha [86.1362]
_cell_angle_beta [87.0079]
_cell_angle_gamma [87.2340]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SmTl(GeI4)2]
_chemical_formula_sum '[Sm1 Tl1 Ge2 I8]'
_cell_volume [534.0206]
_cell_formula_units_Z [1]
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
[
  Sm  Sm0  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  1  0.0000  0.0000  0.5000  1.0
  Ge  Ge2  2  0.4643  0.4715  0.7432  1.0
  I  I3  2  0.2442  0.3284  0.9791  1.0
  I  I4  2  0.2515  0.8281  0.7730  1.0
  I  I5  2  0.2576  0.8373  0.2271  1.0
  I  I6  2  0.2746  0.3614  0.5288  1.0
]