data_[Cs4Zr4Tl4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Zr  1.3300  1.5500  0.8600
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.3695]
_cell_length_b [16.5360]
_cell_length_c [7.7454]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4029]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsZrTlTe3]
_chemical_formula_sum '[Cs4 Zr4 Tl4 Te12]'
_cell_volume [1046.9348]
_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  0.2512  0.2500  1.0
  Zr  Zr1  4  0.0000  0.0483  0.7500  1.0
  Tl  Tl2  4  0.0000  0.4173  0.7500  1.0
  Te  Te3  8  0.2261  0.9580  0.0043  1.0
  Te  Te4  4  0.0000  0.2140  0.7500  1.0
]