data_[Cs4Tl8As4]
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 [P2_1/c]
_cell_length_a [9.0183]
_cell_length_b [8.3279]
_cell_length_c [9.7825]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.5640]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CsTl2As]
_chemical_formula_sum '[Cs4 Tl8 As4]'
_cell_volume [619.1929]
_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  0.4705  0.0012  0.7789  1
  Tl  Tl1  4  0.0330  0.6931  0.5344  1
  Tl  Tl2  4  0.1983  0.1406  0.3391  1
  As  As3  4  0.2255  0.7150  0.8725  1
]