data_[Sm2Tl4Ag2I12]
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
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.1197]
_cell_length_b [8.6922]
_cell_length_c [14.0729]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2561]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [SmTl2AgI6]
_chemical_formula_sum '[Sm2 Tl4 Ag2 I12]'
_cell_volume [820.9347]
_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  2  0.0000  0.0000  0.5000  1.0
  Tl  Tl1  4  0.2937  0.5953  0.7580  1.0
  Ag  Ag2  2  0.5000  0.0000  0.0000  1.0
  I  I3  4  0.1374  0.5237  0.2551  1.0
  I  I4  4  0.2393  0.1952  0.0552  1.0
  I  I5  4  0.3670  0.6909  0.0543  1.0
]