data_[Tl2Se2Cl2]
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 [P1]
_cell_length_a [4.2618]
_cell_length_b [7.9936]
_cell_length_c [19.8496]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [92.5883]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TlSeCl]
_chemical_formula_sum '[Tl2 Se2 Cl2]'
_cell_volume [675.5198]
_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  1  0.0233  0.1520  0.4535  1
  Tl  Tl1  1  0.4845  0.7149  0.4646  1
  Se  Se2  1  0.0510  0.4182  0.5355  1
  Se  Se3  1  0.5152  0.0612  0.3804  1
  Cl  Cl4  1  0.8171  0.3116  0.6247  1
  Cl  Cl5  1  0.9839  0.8922  0.5414  1
]