data_[Tl16In4Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.4946]
_cell_length_b [18.6785]
_cell_length_c [11.3279]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tl4InPb]
_chemical_formula_sum '[Tl16 In4 Pb4]'
_cell_volume [739.4131]
_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  4  0.0000  0.0036  0.7714  1.0
  Tl  Tl1  4  0.0000  0.1110  0.5209  1.0
  Tl  Tl2  4  0.0000  0.3324  0.7673  1.0
  Tl  Tl3  4  0.0000  0.4405  0.5201  1.0
  In  In4  4  0.0000  0.3323  0.2666  1.0
  Pb  Pb5  4  0.0000  0.2236  0.0147  1.0
]