data_[Cs8K4Tl4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Tl  1.6200  1.9000  1.3325
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.2512]
_cell_length_b [20.1584]
_cell_length_c [14.6319]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs2KTlBr5]
_chemical_formula_sum '[Cs8 K4 Tl4 Br20]'
_cell_volume [1548.8671]
_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
[
  Cs  Cs0  4  0.0000  0.1143  0.6934  1.0
  Cs  Cs1  4  0.0000  0.1449  0.3139  1.0
  K  K2  4  0.0000  0.2121  0.0207  1.0
  Tl  Tl3  4  0.0000  0.4704  0.4539  1.0
  Br  Br4  4  0.0000  0.0418  0.0280  1.0
  Br  Br5  4  0.0000  0.2897  0.6623  1.0
  Br  Br6  4  0.0000  0.3292  0.3779  1.0
  Br  Br7  4  0.0000  0.3780  0.0037  1.0
  Br  Br8  4  0.0000  0.4881  0.7702  1.0
]