data_[Tl16Sn8Se24]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.3768]
_cell_length_b [14.5470]
_cell_length_c [15.5656]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4994]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tl2SnSe3]
_chemical_formula_sum '[Tl16 Sn8 Se24]'
_cell_volume [1670.2777]
_cell_formula_units_Z [8]
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  8  0.2023  0.2832  0.8574  1
  Tl  Tl1  8  0.2275  0.1125  0.5578  1
  Sn  Sn2  8  0.2408  0.4989  0.1639  1
  Se  Se3  8  0.2375  0.3296  0.6538  1
  Se  Se4  8  0.2375  0.0883  0.9772  1
  Se  Se5  4  0.0000  0.0847  0.7500  1
  Se  Se6  4  0.0000  0.4066  0.2500  1
]