data_[Tl2In3Pb4]
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 [P3m1]
_cell_length_a [3.4531]
_cell_length_b [3.4531]
_cell_length_c [26.4702]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Tl2In3Pb4]
_chemical_formula_sum '[Tl2 In3 Pb4]'
_cell_volume [273.3441]
_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  1  0.0000  0.0000  0.1209  1.0
  Tl  Tl1  1  0.0000  0.0000  0.9135  1.0
  In  In2  1  0.0000  0.0000  0.3457  1.0
  In  In3  1  0.3333  0.6667  0.0168  1.0
  In  In4  1  0.3333  0.6667  0.6788  1.0
  Pb  Pb5  1  0.0000  0.0000  0.5682  1.0
  Pb  Pb6  1  0.0000  0.0000  0.7860  1.0
  Pb  Pb7  1  0.3333  0.6667  0.2379  1.0
  Pb  Pb8  1  0.3333  0.6667  0.4551  1.0
]