data_[Tl6Cu9Pb3Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.1234]
_cell_length_b [8.1234]
_cell_length_c [22.3585]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Tl2Cu3PbCl8]
_chemical_formula_sum '[Tl6 Cu9 Pb3 Cl24]'
_cell_volume [1277.7580]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.5168  1.0
  Tl  Tl1  3  0.0000  0.0000  0.8871  1.0
  Cu  Cu2  9  0.1826  0.8174  0.3524  1.0
  Pb  Pb3  3  0.0000  0.0000  0.0636  1.0
  Cl  Cl4  9  0.0448  0.5224  0.2946  1.0
  Cl  Cl5  9  0.2017  0.4035  0.0557  1.0
  Cl  Cl6  3  0.0000  0.0000  0.1798  1.0
  Cl  Cl7  3  0.0000  0.0000  0.7517  1.0
]