data_[Tl2Sn2Hg4]
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_1/m]
_cell_length_a [5.2693]
_cell_length_b [4.8379]
_cell_length_c [9.4592]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5693]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlSnHg2]
_chemical_formula_sum '[Tl2 Sn2 Hg4]'
_cell_volume [235.3595]
_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  2  0.3690  0.2500  0.7923  1
  Sn  Sn1  2  0.3002  0.2500  0.3300  1
  Hg  Hg2  2  0.1262  0.7500  0.9455  1
  Hg  Hg3  2  0.1624  0.7500  0.4785  1
]