data_[Tl7Bi1Pb4]
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 [P-3m1]
_cell_length_a [3.5465]
_cell_length_b [3.5465]
_cell_length_c [34.8752]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Tl7BiPb4]
_chemical_formula_sum '[Tl7 Bi1 Pb4]'
_cell_volume [379.8750]
_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  0.2507  1.0
  Tl  Tl1  2  0.3333  0.6667  0.5826  1.0
  Tl  Tl2  2  0.3333  0.6667  0.8339  1.0
  Tl  Tl3  1  0.0000  0.0000  0.0000  1.0
  Bi  Bi4  1  0.0000  0.0000  0.5000  1.0
  Pb  Pb5  2  0.3333  0.6667  0.0823  1.0
  Pb  Pb6  2  0.3333  0.6667  0.3325  1.0
]