data_[Tl14Bi4Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Bi  2.0200  1.6000  1.0350
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.6556]
_cell_length_b [16.7386]
_cell_length_c [7.8704]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Tl7(BiPb)2]
_chemical_formula_sum '[Tl14 Bi4 Pb4]'
_cell_volume [745.0731]
_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  4  0.0000  0.1579  0.1184  1.0
  Tl  Tl1  4  0.0000  0.1587  0.6350  1.0
  Tl  Tl2  4  0.0000  0.3309  0.8777  1.0
  Tl  Tl3  2  0.0000  0.5000  0.6103  1.0
  Bi  Bi4  4  0.0000  0.3292  0.3718  1.0
  Pb  Pb5  2  0.0000  0.0000  0.3872  1.0
  Pb  Pb6  2  0.0000  0.5000  0.1429  1.0
]