data_[Tl12As4Cl2]
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 [C2/m]
_cell_length_a [13.8359]
_cell_length_b [4.4110]
_cell_length_c [9.4801]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.0898]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl6As2Cl]
_chemical_formula_sum '[Tl12 As4 Cl2]'
_cell_volume [578.1810]
_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  4  0.0351  0.0000  0.7670  1
  Tl  Tl1  4  0.1325  0.5000  0.5298  1
  Tl  Tl2  4  0.2183  0.5000  0.1406  1
  As  As3  4  0.1666  0.0000  0.3323  1
  Cl  Cl4  2  0.0000  0.5000  0.0000  1
]