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 [Cm]
_cell_length_a [16.6033]
_cell_length_b [3.6715]
_cell_length_c [18.8869]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Tl3As2Cl]
_chemical_formula_sum '[Tl6 As4 Cl2]'
_cell_volume [1151.3174]
_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  0.2518  0.0000  0.6104  1
  Tl  Tl1  2  0.2688  0.5000  0.4046  1
  Tl  Tl2  2  0.4517  0.0000  0.4715  1
  As  As3  2  0.1129  0.0000  0.4146  1
  As  As4  2  0.1291  0.5000  0.5048  1
  Cl  Cl5  2  0.3889  0.5000  0.5941  1
]