data_[Cs4Sn4Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.2567]
_cell_length_b [9.1346]
_cell_length_c [9.6656]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0273]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs2Sn2Te3]
_chemical_formula_sum '[Cs4 Sn4 Te6]'
_cell_volume [689.1693]
_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  0.2058  0.1621  0.3833  1.0
  Sn  Sn1  4  0.3255  0.6519  0.5173  1.0
  Te  Te2  4  0.4167  0.5232  0.2661  1.0
  Te  Te3  2  0.0000  0.0000  0.0000  1.0
]