data_[Tl6Sn4Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.7746]
_cell_length_b [5.2255]
_cell_length_c [5.1829]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7857]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl3Sn2Pb3]
_chemical_formula_sum '[Tl6 Sn4 Pb6]'
_cell_volume [491.6340]
_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  0.1256  0.5000  0.6250  1.0
  Tl  Tl1  2  0.0000  0.5000  0.0000  1.0
  Sn  Sn2  4  0.2478  0.5000  0.2456  1.0
  Pb  Pb3  4  0.1334  0.0000  0.1322  1.0
  Pb  Pb4  2  0.0000  0.0000  0.5000  1.0
]