data_[Cs1Ag2Sb2Te6]
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
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.7956]
_cell_length_b [7.9671]
_cell_length_c [8.5653]
_cell_angle_alpha [109.4818]
_cell_angle_beta [90.7125]
_cell_angle_gamma [115.1103]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsAg2(SbTe3)2]
_chemical_formula_sum '[Cs1 Ag2 Sb2 Te6]'
_cell_volume [446.6741]
_cell_formula_units_Z [1]
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  1  0.5000  0.0000  0.5000  1.0
  Ag  Ag1  2  0.1563  0.0183  0.1222  1.0
  Sb  Sb2  2  0.2244  0.4027  0.8832  1.0
  Te  Te3  2  0.0173  0.3518  0.1525  1.0
  Te  Te4  2  0.0771  0.1591  0.4389  1.0
  Te  Te5  2  0.4526  0.2082  0.9586  1.0
]