data_[Tl2In2Sn2Hg6]
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
  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 [7.3093]
_cell_length_b [4.4010]
_cell_length_c [10.8252]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4762]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlInSnHg3]
_chemical_formula_sum '[Tl2 In2 Sn2 Hg6]'
_cell_volume [337.1750]
_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  0.1845  0.7500  0.2842  1
  In  In1  2  0.3291  0.2500  0.8099  1
  Sn  Sn2  2  0.0973  0.7500  0.5974  1
  Hg  Hg3  2  0.0977  0.7500  0.9275  1
  Hg  Hg4  2  0.3724  0.2500  0.1134  1
  Hg  Hg5  2  0.3753  0.2500  0.5304  1
]