data_[Si8Sn4Te24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.6624]
_cell_length_b [12.9161]
_cell_length_c [7.2038]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2562]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Si2SnTe6]
_chemical_formula_sum '[Si8 Sn4 Te24]'
_cell_volume [1237.3481]
_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
[
  Si  Si0  8  0.1989  0.4399  0.2239  1
  Sn  Sn1  4  0.0000  0.1229  0.2500  1
  Te  Te2  8  0.1104  0.0701  0.6795  1
  Te  Te3  8  0.1307  0.3990  0.5197  1
  Te  Te4  8  0.1494  0.2794  0.0070  1
]