data_[Tl2Se2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Se  2.5500  1.1500  1.0133
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.5997]
_cell_length_b [7.4561]
_cell_length_c [8.3949]
_cell_angle_alpha [73.2751]
_cell_angle_beta [84.7576]
_cell_angle_gamma [81.6707]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlSeCl3]
_chemical_formula_sum '[Tl2 Se2 Cl6]'
_cell_volume [331.6770]
_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
[
  Tl  Tl0  2  0.2949  0.2384  0.7718  1
  Se  Se1  2  0.2260  0.8327  0.6672  1
  Cl  Cl2  2  0.1719  0.8998  0.3475  1
  Cl  Cl3  2  0.2399  0.7935  0.9540  1
  Cl  Cl4  2  0.4289  0.3666  0.3485  1
]