data_[Tl8Sn4Sb4Se20]
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
  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 [4.0720]
_cell_length_b [19.6900]
_cell_length_c [13.5616]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tl2SnSbSe5]
_chemical_formula_sum '[Tl8 Sn4 Sb4 Se20]'
_cell_volume [1087.3307]
_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  0.1202  0.6785  1.0
  Tl  Tl1  4  0.0000  0.1340  0.3268  1.0
  Sn  Sn2  4  0.0000  0.4454  0.4260  1.0
  Sb  Sb3  4  0.0000  0.2127  0.0310  1.0
  Se  Se4  4  0.0000  0.0374  0.0460  1.0
  Se  Se5  4  0.0000  0.2886  0.6707  1.0
  Se  Se6  4  0.0000  0.3192  0.3715  1.0
  Se  Se7  4  0.0000  0.3436  0.0005  1.0
  Se  Se8  4  0.0000  0.4830  0.7729  1.0
]