data_[Tl24Sn4Hg10]
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
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.7255]
_cell_length_b [9.7280]
_cell_length_c [8.2766]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0292]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl12Sn2Hg5]
_chemical_formula_sum '[Tl24 Sn4 Hg10]'
_cell_volume [1185.4300]
_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  8  0.1272  0.2942  0.3377  1.0
  Tl  Tl1  8  0.1437  0.1786  0.7550  1.0
  Tl  Tl2  4  0.0574  0.5000  0.6817  1.0
  Tl  Tl3  4  0.0884  0.0000  0.1225  1.0
  Sn  Sn4  4  0.0000  0.3310  0.0000  1.0
  Hg  Hg5  4  0.1990  0.5000  0.0250  1.0
  Hg  Hg6  4  0.2408  0.0000  0.4139  1.0
  Hg  Hg7  2  0.0000  0.0000  0.5000  1.0
]