data_[Tl2In2Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.4481]
_cell_length_b [3.1907]
_cell_length_c [8.5187]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.9622]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [TlInHg]
_chemical_formula_sum '[Tl2 In2 Hg2]'
_cell_volume [173.5720]
_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  1  0.1170  0.5000  0.3567  1.0
  Tl  Tl1  1  0.9224  0.5000  0.7161  1.0
  In  In2  1  0.2728  0.0000  0.0276  1.0
  In  In3  1  0.6193  0.0000  0.3752  1.0
  Hg  Hg4  1  0.4192  0.0000  0.6943  1.0
  Hg  Hg5  1  0.7681  0.0000  0.0386  1.0
]