data_[Tl3Ag12Pb3Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.1443]
_cell_length_b [8.1443]
_cell_length_c [20.7811]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [TlAg4PbCl8]
_chemical_formula_sum '[Tl3 Ag12 Pb3 Cl24]'
_cell_volume [1193.7281]
_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  0.6357  1.0
  Ag  Ag1  9  0.1678  0.3357  0.8350  1.0
  Ag  Ag2  3  0.0000  0.0000  0.3636  1.0
  Pb  Pb3  3  0.0000  0.0000  0.0059  1.0
  Cl  Cl4  9  0.0088  0.5044  0.7529  1.0
  Cl  Cl5  9  0.1746  0.3492  0.5745  1.0
  Cl  Cl6  3  0.0000  0.0000  0.2378  1.0
  Cl  Cl7  3  0.0000  0.0000  0.7698  1.0
]