data_[Al2Tl4Sn2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  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]
_cell_length_a [9.6252]
_cell_length_b [9.0916]
_cell_length_c [7.1088]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.6516]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [AlTl2SnSe4]
_chemical_formula_sum '[Al2 Tl4 Sn2 Se8]'
_cell_volume [492.5254]
_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
[
  Al  Al0  2  0.0000  0.5249  0.0000  1.0
  Tl  Tl1  2  0.0000  0.7059  0.5000  1.0
  Tl  Tl2  2  0.0000  0.9744  0.0000  1.0
  Sn  Sn3  2  0.0000  0.2336  0.5000  1.0
  Se  Se4  4  0.1714  0.4102  0.3918  1.0
  Se  Se5  4  0.2187  0.6769  0.0256  1.0
]