data_[Sm3Tl3Ag6Br18]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.4744]
_cell_length_b [7.4744]
_cell_length_c [20.5479]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [SmTl(AgBr3)2]
_chemical_formula_sum '[Sm3 Tl3 Ag6 Br18]'
_cell_volume [994.1440]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.6743  1
  Tl  Tl1  3  0.0000  0.0000  0.1926  1
  Ag  Ag2  3  0.0000  0.0000  0.0013  1
  Ag  Ag3  3  0.0000  0.0000  0.4854  1
  Br  Br4  9  0.0033  0.3364  0.0779  1
  Br  Br5  9  0.0099  0.6001  0.2509  1
]