data_[Tl2Sn3Hg8]
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 [P2/m]
_cell_length_a [4.9936]
_cell_length_b [4.5492]
_cell_length_c [16.7396]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.6028]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tl2Sn3Hg8]
_chemical_formula_sum '[Tl2 Sn3 Hg8]'
_cell_volume [379.5212]
_cell_formula_units_Z [1]
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  0.2666  0.5000  0.5761  1
  Sn  Sn1  2  0.3324  0.0000  0.0720  1
  Sn  Sn2  1  0.0000  0.5000  0.0000  1
  Hg  Hg3  2  0.2176  0.5000  0.2665  1
  Hg  Hg4  2  0.2357  0.0000  0.4172  1
  Hg  Hg5  2  0.2753  0.0000  0.7222  1
  Hg  Hg6  2  0.3046  0.5000  0.8503  1
]