data_[Cs4Ag20Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ag  1.9300  1.6000  1.0867
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [14.7966]
_cell_length_b [14.7966]
_cell_length_c [4.6043]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [CsAg5Te3]
_chemical_formula_sum '[Cs4 Ag20 Te12]'
_cell_volume [1008.0507]
_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  0.1123  0.8877  0.5000  1
  Ag  Ag1  8  0.0168  0.6024  0.5000  1
  Ag  Ag2  8  0.0798  0.2878  0.0000  1
  Ag  Ag3  4  0.1783  0.1783  0.5000  1
  Te  Te4  8  0.1166  0.6723  0.0000  1
  Te  Te5  4  0.1014  0.1014  0.0000  1
]