data_[Tl4In1Pb15]
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 [P4/mmm]
_cell_length_a [5.0116]
_cell_length_b [5.0116]
_cell_length_c [24.8849]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Tl4InPb15]
_chemical_formula_sum '[Tl4 In1 Pb15]'
_cell_volume [625.0067]
_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  0.0000  0.0000  0.1993  1
  Tl  Tl1  2  0.0000  0.0000  0.4002  1
  In  In2  1  0.0000  0.0000  0.0000  1
  Pb  Pb3  4  0.0000  0.5000  0.0980  1
  Pb  Pb4  4  0.0000  0.5000  0.2995  1
  Pb  Pb5  2  0.0000  0.5000  0.5000  1
  Pb  Pb6  2  0.5000  0.5000  0.1995  1
  Pb  Pb7  2  0.5000  0.5000  0.4003  1
  Pb  Pb8  1  0.5000  0.5000  0.0000  1
]