data_[Sm4Tl4Br16]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.8626]
_cell_length_b [14.1213]
_cell_length_c [7.2506]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.0557]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [SmTlBr4]
_chemical_formula_sum '[Sm4 Tl4 Br16]'
_cell_volume [855.8491]
_cell_formula_units_Z [4]
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  0.0000  0.0023  0.2500  1.0
  Tl  Tl1  4  0.0000  0.3669  0.7500  1.0
  Br  Br2  8  0.1042  0.1593  0.0705  1.0
  Br  Br3  8  0.2293  0.5627  0.8012  1.0
]