data_[Tl4Ag4Pb4]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.7815]
_cell_length_b [3.4891]
_cell_length_c [7.7435]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2187]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TlAgPb]
_chemical_formula_sum '[Tl4 Ag4 Pb4]'
_cell_volume [324.0469]
_cell_formula_units_Z [4]
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  0.2370  0.5000  0.8440  1.0
  Tl  Tl1  2  0.3864  0.0000  0.2345  1.0
  Ag  Ag2  2  0.0767  0.0000  0.5078  1.0
  Ag  Ag3  2  0.2438  0.5000  0.4412  1.0
  Pb  Pb4  2  0.0916  0.0000  0.1084  1.0
  Pb  Pb5  2  0.4406  0.0000  0.7057  1.0
]