data_[Tl2As2Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  As  2.1800  1.1500  0.6600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.7668]
_cell_length_b [3.5235]
_cell_length_c [6.1949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3363]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TlAsCl2]
_chemical_formula_sum '[Tl2 As2 Cl4]'
_cell_volume [232.5278]
_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  0.4824  0.0000  0.5819  1
  As  As1  2  0.3319  0.5000  0.2396  1
  Cl  Cl2  2  0.1985  0.0000  0.6393  1
  Cl  Cl3  2  0.4872  0.5000  0.0391  1
]