data_[Tl8Sn4Bi4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0784]
_cell_length_b [19.9459]
_cell_length_c [13.5011]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tl2SnBiSe5]
_chemical_formula_sum '[Tl8 Sn4 Bi4 Se20]'
_cell_volume [1098.2804]
_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
[
  Tl  Tl0  4  0.0000  0.1206  0.6766  1.0
  Tl  Tl1  4  0.0000  0.1348  0.3283  1.0
  Sn  Sn2  4  0.0000  0.4486  0.4236  1.0
  Bi  Bi3  4  0.0000  0.2072  0.0331  1.0
  Se  Se4  4  0.0000  0.0358  0.0454  1.0
  Se  Se5  4  0.0000  0.2860  0.6834  1.0
  Se  Se6  4  0.0000  0.3255  0.3677  1.0
  Se  Se7  4  0.0000  0.3428  0.9942  1.0
  Se  Se8  4  0.0000  0.4781  0.7716  1.0
]