data_[Tl2In6Sn2Hg2]
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 [8.1152]
_cell_length_b [4.4854]
_cell_length_c [9.8352]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.1253]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlIn3SnHg]
_chemical_formula_sum '[Tl2 In6 Sn2 Hg2]'
_cell_volume [333.9431]
_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  0.4874  0.2500  0.3684  1.0
  In  In1  2  0.1646  0.2500  0.0471  1.0
  In  In2  2  0.1655  0.2500  0.5389  1.0
  In  In3  2  0.1987  0.7500  0.7983  1.0
  Sn  Sn4  2  0.1230  0.7500  0.2842  1.0
  Hg  Hg5  2  0.4856  0.7500  0.1214  1.0
]