data_[Sn4Ge8Te24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.1008]
_cell_length_b [12.8429]
_cell_length_c [7.3781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7202]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sn(GeTe3)2]
_chemical_formula_sum '[Sn4 Ge8 Te24]'
_cell_volume [1210.9065]
_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
[
  Sn  Sn0  4  0.0000  0.1239  0.7500  1.0
  Ge  Ge1  8  0.1798  0.4395  0.7254  1.0
  Te  Te2  8  0.1128  0.0702  0.1726  1.0
  Te  Te3  8  0.1186  0.3824  0.0353  1.0
  Te  Te4  8  0.1401  0.2790  0.4854  1.0
]