data_[Cs12Sn4Te12]
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 [C2/m]
_cell_length_a [10.4095]
_cell_length_b [15.6736]
_cell_length_c [9.4072]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5556]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3SnTe3]
_chemical_formula_sum '[Cs12 Sn4 Te12]'
_cell_volume [1498.1164]
_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  0.1739  0.5000  1
  Cs  Cs1  4  0.0000  0.2435  0.0000  1
  Cs  Cs2  4  0.1099  0.5000  0.3601  1
  Sn  Sn3  4  0.1655  0.0000  0.1423  1
  Te  Te4  8  0.1996  0.3533  0.7190  1
  Te  Te5  4  0.1034  0.0000  0.8064  1
]