data_[Tl3Cu2Pb1Cl8]
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 [P-3m1]
_cell_length_a [7.4455]
_cell_length_b [7.4455]
_cell_length_c [9.1090]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Tl3Cu2PbCl8]
_chemical_formula_sum '[Tl3 Cu2 Pb1 Cl8]'
_cell_volume [437.3141]
_cell_formula_units_Z [1]
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  0.3333  0.6667  0.3664  1.0
  Tl  Tl1  1  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  2  0.3333  0.6667  0.8069  1.0
  Pb  Pb3  1  0.0000  0.0000  0.5000  1.0
  Cl  Cl4  6  0.1723  0.3446  0.6920  1.0
  Cl  Cl5  2  0.3333  0.6667  0.0484  1.0
]