data_[Cs4Li4Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Li  0.9800  1.4500  0.9000
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [10.2119]
_cell_length_b [9.9023]
_cell_length_c [5.8041]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [CsLiTe2]
_chemical_formula_sum '[Cs4 Li4 Te8]'
_cell_volume [586.9154]
_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  0.0024  0.3377  0.0630  1
  Li  Li1  4  0.1327  0.0003  0.8126  1
  Te  Te2  4  0.1505  0.9976  0.3115  1
  Te  Te3  4  0.2481  0.7471  0.0628  1
]