data_[Cs8Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [17.6556]
_cell_length_b [7.6275]
_cell_length_c [7.8953]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.9328]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cs2Te3]
_chemical_formula_sum '[Cs8 Te12]'
_cell_volume [956.1796]
_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  0.1280  0.3175  0.2882  1.0
  Te  Te1  8  0.1821  0.1762  0.8375  1.0
  Te  Te2  4  0.0000  0.2368  0.7500  1.0
]