data_[Cs1Na1Tl1Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.4957]
_cell_length_b [7.2713]
_cell_length_c [7.9905]
_cell_angle_alpha [88.7738]
_cell_angle_beta [89.4927]
_cell_angle_gamma [68.1057]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsNaTlCl6]
_chemical_formula_sum '[Cs1 Na1 Tl1 Cl6]'
_cell_volume [296.2088]
_cell_formula_units_Z [1]
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  1  0.0938  0.9225  0.9548  1.0
  Na  Na1  1  0.3883  0.3147  0.4587  1.0
  Tl  Tl2  1  0.6681  0.7203  0.4596  1.0
  Cl  Cl3  1  0.0938  0.4707  0.7628  1.0
  Cl  Cl4  1  0.1845  0.7268  0.3861  1.0
  Cl  Cl5  1  0.5549  0.9944  0.2244  1.0
  Cl  Cl6  1  0.5699  0.9786  0.6736  1.0
  Cl  Cl7  1  0.5913  0.4780  0.7535  1.0
  Cl  Cl8  1  0.8554  0.3940  0.3264  1.0
]