data_[Tl10Sn4Hg2]
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 [Pbam]
_cell_length_a [6.7424]
_cell_length_b [12.6645]
_cell_length_c [5.6441]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Tl5Sn2Hg]
_chemical_formula_sum '[Tl10 Sn4 Hg2]'
_cell_volume [481.9418]
_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  0.1127  0.2565  0.0000  1.0
  Tl  Tl1  4  0.1526  0.8534  0.5000  1.0
  Tl  Tl2  2  0.0000  0.0000  0.0000  1.0
  Sn  Sn3  4  0.1666  0.5927  0.5000  1.0
  Hg  Hg4  2  0.0000  0.5000  0.0000  1.0
]