data_[Tl4In2Sn2Hg2]
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 [6.7117]
_cell_length_b [5.4171]
_cell_length_c [8.2752]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.8039]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tl2InSnHg]
_chemical_formula_sum '[Tl4 In2 Sn2 Hg2]'
_cell_volume [294.5073]
_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  0.0376  0.2500  0.3554  1.0
  Tl  Tl1  2  0.4547  0.2500  0.1448  1.0
  In  In2  2  0.1174  0.7500  0.0737  1.0
  Sn  Sn3  2  0.3794  0.7500  0.4420  1.0
  Hg  Hg4  2  0.2533  0.2500  0.7474  1.0
]