data_[Sn4Ge8Se24]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.6462]
_cell_length_b [13.8849]
_cell_length_c [6.3550]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.6605]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sn(GeSe3)2]
_chemical_formula_sum '[Sn4 Ge8 Se24]'
_cell_volume [1094.3056]
_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  0.1987  0.2500  1.0
  Ge  Ge1  8  0.2104  0.4201  0.3387  1.0
  Se  Se2  8  0.1034  0.0823  0.5957  1.0
  Se  Se3  8  0.1269  0.2825  0.1000  1.0
  Se  Se4  8  0.1480  0.4287  0.6376  1.0
]