data_[Sn8Bi4Sb4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Bi  2.0200  1.6000  1.0350
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1526]
_cell_length_b [17.8665]
_cell_length_c [15.1219]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sn2BiSbSe5]
_chemical_formula_sum '[Sn8 Bi4 Sb4 Se20]'
_cell_volume [1121.9238]
_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  0.1034  0.6484  1.0
  Sn  Sn1  4  0.0000  0.1243  0.2668  1.0
  Bi  Bi2  4  0.0000  0.4519  0.4483  1.0
  Sb  Sb3  4  0.0000  0.2245  0.0318  1.0
  Se  Se4  4  0.0000  0.0656  0.0777  1.0
  Se  Se5  4  0.0000  0.2696  0.6650  1.0
  Se  Se6  4  0.0000  0.3019  0.4010  1.0
  Se  Se7  4  0.0000  0.3820  0.0202  1.0
  Se  Se8  4  0.0000  0.4851  0.7649  1.0
]