data_[Sn12Sb2Te6Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6437]
_cell_length_b [13.2862]
_cell_length_c [7.6096]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5646]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sn6SbTe3Se2]
_chemical_formula_sum '[Sn12 Sb2 Te6 Se4]'
_cell_volume [728.1773]
_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
[
  Sn  Sn0  8  0.2460  0.1680  0.2344  1
  Sn  Sn1  4  0.2444  0.5000  0.2383  1
  Sb  Sb2  2  0.0000  0.0000  0.0000  1
  Te  Te3  4  0.0000  0.1621  0.5000  1
  Te  Te4  2  0.0000  0.5000  0.5000  1
  Se  Se5  4  0.0000  0.3312  0.0000  1
]