data_[Tl2In8Pb14]
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 [C2/m]
_cell_length_a [12.7591]
_cell_length_b [6.0947]
_cell_length_c [11.5806]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0266]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlIn4Pb7]
_chemical_formula_sum '[Tl2 In8 Pb14]'
_cell_volume [779.6864]
_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  2  0.0000  0.0000  0.0000  1
  In  In1  4  0.0748  0.5000  0.7661  1
  In  In2  4  0.2238  0.5000  0.3108  1
  Pb  Pb3  4  0.0413  0.0000  0.3833  1
  Pb  Pb4  4  0.1624  0.5000  0.5495  1
  Pb  Pb5  4  0.2070  0.0000  0.9198  1
  Pb  Pb6  2  0.0000  0.5000  0.0000  1
]