data_[Cs4Ag4Bi8Te16]
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
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.6830]
_cell_length_b [15.3627]
_cell_length_c [16.8909]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CsAg(BiTe2)2]
_chemical_formula_sum '[Cs4 Ag4 Bi8 Te16]'
_cell_volume [1215.1828]
_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  0.0000  0.1150  0.7500  1.0
  Ag  Ag1  4  0.0000  0.1675  0.2500  1.0
  Bi  Bi2  8  0.0000  0.3686  0.5592  1.0
  Te  Te3  8  0.0000  0.2601  0.0987  1.0
  Te  Te4  4  0.0000  0.0000  0.0000  1.0
  Te  Te5  4  0.0000  0.4216  0.7500  1.0
]