data_[Cs4Al4Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Al  1.6100  1.2500  0.6750
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5943]
_cell_length_b [4.4184]
_cell_length_c [11.2666]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2284]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsAlTe2]
_chemical_formula_sum '[Cs4 Al4 Te8]'
_cell_volume [697.5549]
_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  0.0904  0.5000  0.3571  1
  Al  Al1  4  0.2262  0.0000  0.8661  1
  Te  Te2  4  0.1279  0.0000  0.6456  1
  Te  Te3  4  0.1549  0.0000  0.0629  1
]