data_[Cs4Ta2Tl6Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ta  1.5000  1.4500  0.8200
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.5562]
_cell_length_b [17.1991]
_cell_length_c [7.7302]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.2550]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Ta(TlTe2)3]
_chemical_formula_sum '[Cs4 Ta2 Tl6 Te12]'
_cell_volume [1052.8318]
_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  4  0.0000  0.3155  0.0000  1.0
  Ta  Ta1  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  4  0.0000  0.1116  0.5000  1.0
  Tl  Tl3  2  0.0000  0.5000  0.5000  1.0
  Te  Te4  8  0.1989  0.8822  0.2311  1.0
  Te  Te5  4  0.2257  0.0000  0.8110  1.0
]