data_[Tl2In4Hg2]
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 [Cmm2]
_cell_length_a [3.7539]
_cell_length_b [5.8973]
_cell_length_c [10.3091]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [TlIn2Hg]
_chemical_formula_sum '[Tl2 In4 Hg2]'
_cell_volume [228.2221]
_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  0.0000  0.0000  0.4974  1.0
  In  In1  2  0.0000  0.0000  0.0012  1.0
  In  In2  2  0.0000  0.5000  0.7600  1.0
  Hg  Hg3  2  0.0000  0.5000  0.2414  1.0
]