data_[Tl4Sn2Hg5]
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 [8.0353]
_cell_length_b [3.3865]
_cell_length_c [11.8122]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1129]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tl4Sn2Hg5]
_chemical_formula_sum '[Tl4 Sn2 Hg5]'
_cell_volume [321.4235]
_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  0.1585  0.5000  0.8948  1.0
  Tl  Tl1  2  0.3049  0.5000  0.4451  1.0
  Sn  Sn2  2  0.0527  0.0000  0.6309  1.0
  Hg  Hg3  2  0.2081  0.0000  0.1686  1.0
  Hg  Hg4  2  0.4290  0.0000  0.7188  1.0
  Hg  Hg5  1  0.5000  0.0000  0.0000  1.0
]