data_[Sr6Tl3Ag3Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [7.7961]
_cell_length_b [7.7961]
_cell_length_c [21.1038]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Sr2TlAgBr6]
_chemical_formula_sum '[Sr6 Tl3 Ag3 Br18]'
_cell_volume [1110.8352]
_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
[
  Sr  Sr0  3  0.0000  0.0000  0.0076  1.0
  Sr  Sr1  3  0.0000  0.0000  0.5160  1.0
  Tl  Tl2  3  0.0000  0.0000  0.8094  1.0
  Ag  Ag3  3  0.0000  0.0000  0.3202  1.0
  Br  Br4  9  0.0044  0.3472  0.5877  1.0
  Br  Br5  9  0.0602  0.6983  0.0819  1.0
]