data_[Sm12Tl2Co4I6]
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
  Co  1.8800  1.3500  0.7683
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.1920]
_cell_length_b [4.0581]
_cell_length_c [9.5271]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2628]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6TlCo2I3]
_chemical_formula_sum '[Sm12 Tl2 Co4 I6]'
_cell_volume [736.9567]
_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
[
  Sm  Sm0  4  0.0382  0.0000  0.2669  1.0
  Sm  Sm1  4  0.1675  0.5000  0.1561  1.0
  Sm  Sm2  4  0.1848  0.5000  0.5608  1.0
  Tl  Tl3  2  0.0000  0.5000  0.0000  1.0
  Co  Co4  4  0.1744  0.0000  0.3542  1.0
  I  I5  4  0.1634  0.0000  0.8401  1.0
  I  I6  2  0.0000  0.5000  0.5000  1.0
]