data_[Sr3Tl6Ag3Br18]
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 [7.7467]
_cell_length_b [7.7467]
_cell_length_c [20.8561]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [SrTl2AgBr6]
_chemical_formula_sum '[Sr3 Tl6 Ag3 Br18]'
_cell_volume [1083.9260]
_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  0.1816  1.0
  Tl  Tl1  3  0.0000  0.0000  0.4761  1.0
  Tl  Tl2  3  0.0000  0.0000  0.9856  1.0
  Ag  Ag3  3  0.0000  0.0000  0.6784  1.0
  Br  Br4  9  0.0337  0.6770  0.2561  1.0
  Br  Br5  9  0.0580  0.3447  0.7494  1.0
]