data_[Cs8Bi4Sb4Te16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Bi  2.0200  1.6000  1.0350
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [9.7404]
_cell_length_b [9.8467]
_cell_length_c [13.8480]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Cs2BiSbTe4]
_chemical_formula_sum '[Cs8 Bi4 Sb4 Te16]'
_cell_volume [1328.1679]
_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  0.0000  0.5000  1.0
  Cs  Cs1  4  0.2500  0.2500  0.7500  1.0
  Bi  Bi2  4  0.0000  0.0000  0.0000  1.0
  Sb  Sb3  4  0.2500  0.2500  0.2500  1.0
  Te  Te4  8  0.0000  0.0413  0.2326  1.0
  Te  Te5  8  0.2150  0.2500  0.0206  1.0
]