data_[Cs8Tl8]
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
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [13.7420]
_cell_length_b [13.7420]
_cell_length_c [4.4428]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [CsTl]
_chemical_formula_sum '[Cs8 Tl8]'
_cell_volume [838.9994]
_cell_formula_units_Z [8]
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  8  0.1372  0.8246  0.5000  1.0
  Tl  Tl1  8  0.0167  0.3731  0.0000  1.0
]