data_[Tl32In24Sn2]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.8923]
_cell_length_b [17.0480]
_cell_length_c [10.3354]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9178]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Tl16In12Sn]
_chemical_formula_sum '[Tl32 In24 Sn2]'
_cell_volume [1718.1780]
_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  0.0179  0.3035  0.3184  1
  Tl  Tl1  4  0.0399  0.3607  0.0009  1
  Tl  Tl2  4  0.1986  0.1980  0.6790  1
  Tl  Tl3  4  0.3206  0.3193  1.0000  1
  Tl  Tl4  4  0.3387  0.3406  0.3960  1
  Tl  Tl5  4  0.4423  0.8405  0.6012  1
  Tl  Tl6  2  0.0003  0.0000  0.6431  1
  Tl  Tl7  2  0.0016  0.0000  0.9999  1
  Tl  Tl8  2  0.3182  0.0000  0.7132  1
  Tl  Tl9  2  0.3601  0.0000  0.3591  1
  In  In10  4  0.0886  0.9073  0.3643  1
  In  In11  4  0.1829  0.1846  0.1867  1
  In  In12  4  0.2273  0.4064  0.6316  1
  In  In13  4  0.2808  0.9110  0.0037  1
  In  In14  4  0.4989  0.3150  0.8127  1
  In  In15  2  0.1320  0.5000  0.8168  1
  In  In16  2  0.3037  0.5000  0.1784  1
  Sn  Sn17  2  0.1118  0.5000  0.3002  1
]