data_[Cs4Li4Si4Te12]
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
  Si  1.9000  1.1000  0.5400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9929]
_cell_length_b [8.4706]
_cell_length_c [8.3442]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.6586]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsLiSiTe3]
_chemical_formula_sum '[Cs4 Li4 Si4 Te12]'
_cell_volume [912.1466]
_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  0.1554  0.5000  0.8511  1
  Li  Li1  4  0.0000  0.1731  0.5000  1
  Si  Si2  4  0.0170  0.0000  0.1426  1
  Te  Te3  8  0.1058  0.2550  0.2401  1
  Te  Te4  4  0.1482  0.0000  0.7220  1
]