data_[Tl6As4Cl2]
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 [Pnc2]
_cell_length_a [19.0520]
_cell_length_b [3.6366]
_cell_length_c [19.5484]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [30]
_chemical_formula_structural [Tl3As2Cl]
_chemical_formula_sum '[Tl6 As4 Cl2]'
_cell_volume [1354.4124]
_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  0.1063  0.7304  0.1115  1
  Tl  Tl1  2  0.0000  0.0000  0.3745  1
  As  As2  4  0.0454  0.2490  0.7311  1
  Cl  Cl3  2  0.0000  0.0000  0.0201  1
]