data_[Cs4Sr2Tl2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sr  0.9500  2.0000  1.3200
  Tl  1.6200  1.9000  1.3325
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [8.4079]
_cell_length_b [12.0267]
_cell_length_c [8.5212]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Cs2SrTlBr6]
_chemical_formula_sum '[Cs4 Sr2 Tl2 Br12]'
_cell_volume [861.6517]
_cell_formula_units_Z [2]
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  4  0.0000  0.2648  0.2235  1.0
  Sr  Sr1  2  0.0000  0.5000  0.7368  1.0
  Tl  Tl2  2  0.0000  0.0000  0.7582  1.0
  Br  Br3  4  0.0000  0.2496  0.7675  1.0
  Br  Br4  4  0.2352  0.5000  0.4704  1.0
  Br  Br5  4  0.2440  0.0000  0.0156  1.0
]