data_[Tl2In12Sn2Pb4]
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
  Sn  1.9600  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.4018]
_cell_length_b [10.0289]
_cell_length_c [10.9933]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.3267]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TlIn6SnPb2]
_chemical_formula_sum '[Tl2 In12 Sn2 Pb4]'
_cell_volume [612.8187]
_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  0.5000  0.0000  0.0000  1.0
  In  In1  4  0.0741  0.6481  0.4645  1.0
  In  In2  4  0.2155  0.2069  0.4235  1.0
  In  In3  4  0.4969  0.1466  0.2698  1.0
  Sn  Sn4  2  0.0000  0.0000  0.5000  1.0
  Pb  Pb5  4  0.2395  0.6126  0.8344  1.0
]