data_[Tl6Sn6]
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
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.4086]
_cell_length_b [12.6492]
_cell_length_c [6.8691]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [TlSn]
_chemical_formula_sum '[Tl6 Sn6]'
_cell_volume [383.0572]
_cell_formula_units_Z [6]
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  0.3198  0.1711  1.0
  Tl  Tl1  2  0.0000  0.0000  0.4353  1.0
  Sn  Sn2  4  0.0000  0.3762  0.6528  1.0
  Sn  Sn3  2  0.0000  0.0000  0.9189  1.0
]