data_[Cs8Tl8As4]
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 [C2/m]
_cell_length_a [9.2828]
_cell_length_b [13.7065]
_cell_length_c [9.0609]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.0910]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Tl2As]
_chemical_formula_sum '[Cs8 Tl8 As4]'
_cell_volume [1007.4256]
_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  8  0.2198  0.3350  0.2624  1.0
  Tl  Tl1  4  0.0775  0.0000  0.2825  1.0
  Tl  Tl2  4  0.2236  0.5000  0.9169  1.0
  As  As3  4  0.0000  0.1396  0.0000  1.0
]