data_[Cs8Tl10As2]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [11.1448]
_cell_length_b [11.1448]
_cell_length_c [7.8842]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [Cs4Tl5As]
_chemical_formula_sum '[Cs8 Tl10 As2]'
_cell_volume [979.2678]
_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  8  0.0589  0.7158  0.4483  1
  Tl  Tl1  8  0.0739  0.7857  0.9598  1
  Tl  Tl2  2  0.0000  0.0000  0.7334  1
  As  As3  2  0.0000  0.0000  0.1446  1
]