data_[Cs4Na16Tl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0035]
_cell_length_b [8.9977]
_cell_length_c [7.0574]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4319]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsNa4Tl]
_chemical_formula_sum '[Cs4 Na16 Tl4]'
_cell_volume [1064.1756]
_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  0.2205  0.0000  0.1358  1.0
  Na  Na1  8  0.0989  0.1994  0.5339  1.0
  Na  Na2  4  0.0000  0.2169  0.0000  1.0
  Na  Na3  4  0.1549  0.5000  0.2384  1.0
  Tl  Tl4  4  0.0360  0.5000  0.7372  1.0
]