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 [Pna2_1]
_cell_length_a [7.6032]
_cell_length_b [12.0052]
_cell_length_c [7.3730]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [CsAlTe2]
_chemical_formula_sum '[Cs4 Al4 Te8]'
_cell_volume [672.9873]
_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  0.0572  0.6257  0.9596  1.0
  Al  Al1  4  0.0372  0.8741  0.5072  1.0
  Te  Te2  4  0.0505  0.9333  0.8559  1.0
  Te  Te3  4  0.1342  0.3125  0.9276  1.0
]