data_[Cs6Sb2Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [8.1679]
_cell_length_b [11.5733]
_cell_length_c [8.9195]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Cs3SbTe4]
_chemical_formula_sum '[Cs6 Sb2 Te8]'
_cell_volume [843.1578]
_cell_formula_units_Z [2]
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  0.2582  0.4073  1.0
  Cs  Cs1  2  0.0000  0.0000  0.0437  1.0
  Sb  Sb2  2  0.0000  0.5000  0.9987  1.0
  Te  Te3  4  0.0000  0.2999  0.8294  1.0
  Te  Te4  4  0.2170  0.0000  0.6666  1.0
]