data_[Cs1Tl2W1I8]
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
  W  2.3600  1.3500  0.7667
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.0975]
_cell_length_b [10.5435]
_cell_length_c [8.1322]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.0550]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CsTl2WI8]
_chemical_formula_sum '[Cs1 Tl2 W1 I8]'
_cell_volume [559.9448]
_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  0.0000  0.5000  0.0000  1.0
  Tl  Tl1  2  0.0000  0.2659  0.5000  1.0
  W  W2  1  0.0000  0.0000  0.0000  1.0
  I  I3  4  0.2489  0.1827  0.2209  1.0
  I  I4  2  0.2303  0.0000  0.8002  1.0
  I  I5  2  0.3125  0.5000  0.6959  1.0
]