data_[Tl2In6Sn1Hg1]
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 [P-1]
_cell_length_a [6.0307]
_cell_length_b [6.1176]
_cell_length_c [8.3697]
_cell_angle_alpha [73.6470]
_cell_angle_beta [72.6160]
_cell_angle_gamma [82.6111]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tl2In6SnHg]
_chemical_formula_sum '[Tl2 In6 Sn1 Hg1]'
_cell_volume [282.4286]
_cell_formula_units_Z [1]
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  0.4957  0.0947  0.2973  1.0
  In  In1  2  0.0002  0.7892  0.4003  1.0
  In  In2  2  0.0046  0.6058  0.8029  1.0
  In  In3  2  0.4936  0.6899  0.1054  1.0
  Sn  Sn4  1  0.5000  0.5000  0.5000  1.0
  Hg  Hg5  1  0.0000  0.0000  0.0000  1.0
]