data_[Cs3Tl6P3Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tl  1.6200  1.9000  1.3325
  P  2.1900  1.0000  0.5500
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.8703]
_cell_length_b [7.8703]
_cell_length_c [23.6967]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CsTl2PBr6]
_chemical_formula_sum '[Cs3 Tl6 P3 Br18]'
_cell_volume [1271.1475]
_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
[
  Cs  Cs0  3  0.0000  0.0000  0.7371  1.0
  Tl  Tl1  3  0.0000  0.0000  0.5054  1.0
  Tl  Tl2  3  0.0000  0.0000  0.9926  1.0
  P  P3  3  0.0000  0.0000  0.3357  1.0
  Br  Br4  9  0.0352  0.4860  0.9487  1.0
  Br  Br5  9  0.1419  0.8019  0.0815  1.0
]