data_[Cs4Tl2As2]
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 [Cm]
_cell_length_a [11.0856]
_cell_length_b [6.4310]
_cell_length_c [5.7715]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5798]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Cs2TlAs]
_chemical_formula_sum '[Cs4 Tl2 As2]'
_cell_volume [411.4341]
_cell_formula_units_Z [2]
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  2  0.1640  0.5000  0.8234  1.0
  Cs  Cs1  2  0.3326  0.0000  0.1872  1.0
  Tl  Tl2  2  0.0100  0.0000  0.5113  1.0
  As  As3  2  0.0019  0.0000  0.0140  1.0
]