data_[Tl2Ag2Pb2]
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 [P1]
_cell_length_a [3.8622]
_cell_length_b [6.0974]
_cell_length_c [7.4599]
_cell_angle_alpha [77.9306]
_cell_angle_beta [78.1072]
_cell_angle_gamma [74.3977]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TlAgPb]
_chemical_formula_sum '[Tl2 Ag2 Pb2]'
_cell_volume [163.3556]
_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  1  0.1523  0.4595  0.4042  1.0
  Tl  Tl1  1  0.3886  0.5440  0.8086  1.0
  Ag  Ag2  1  0.1037  0.1100  0.7880  1.0
  Ag  Ag3  1  0.8511  0.3124  0.1225  1.0
  Pb  Pb4  1  0.5644  0.8843  0.0988  1.0
  Pb  Pb5  1  0.7946  0.9709  0.5027  1.0
]