data_[Tl10As4Cl24]
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 [17.1357]
_cell_length_b [7.6691]
_cell_length_c [9.9826]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7521]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl5(AsCl6)2]
_chemical_formula_sum '[Tl10 As4 Cl24]'
_cell_volume [1242.2335]
_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  0.1884  0.5000  0.8193  1.0
  Tl  Tl1  4  0.2109  0.5000  0.3725  1.0
  Tl  Tl2  2  0.0000  0.0000  0.5000  1.0
  As  As3  4  0.0000  0.2498  0.0000  1.0
  Cl  Cl4  8  0.1301  0.2447  0.5571  1.0
  Cl  Cl5  8  0.1517  0.2555  0.0763  1.0
  Cl  Cl6  4  0.0030  0.0000  0.1750  1.0
  Cl  Cl7  4  0.0045  0.5000  0.1770  1.0
]