data_[Cs4Tl4Si4As8]
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
  Si  1.9000  1.1000  0.5400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cmme]
_cell_length_a [6.2435]
_cell_length_b [14.2423]
_cell_length_c [8.2710]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [67]
_chemical_formula_structural [CsTlSiAs2]
_chemical_formula_sum '[Cs4 Tl4 Si4 As8]'
_cell_volume [735.4672]
_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  0.0000  0.2500  0.2000  1.0
  Tl  Tl1  4  0.0000  0.0000  0.5000  1.0
  Si  Si2  4  0.2500  0.0000  0.0000  1.0
  As  As3  8  0.0000  0.0891  0.8444  1.0
]