data_[Tl12In2Hg6]
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 [P2_1/m]
_cell_length_a [10.5424]
_cell_length_b [5.1100]
_cell_length_c [11.6867]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9996]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tl6InHg3]
_chemical_formula_sum '[Tl12 In2 Hg6]'
_cell_volume [605.1961]
_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  0.0602  0.2500  0.8988  1.0
  Tl  Tl1  2  0.1519  0.2500  0.2055  1.0
  Tl  Tl2  2  0.1615  0.7500  0.7006  1.0
  Tl  Tl3  2  0.2530  0.2500  0.5110  1.0
  Tl  Tl4  2  0.3614  0.7500  0.3054  1.0
  Tl  Tl5  2  0.4586  0.2500  0.0982  1.0
  In  In6  2  0.0534  0.7500  0.3997  1.0
  Hg  Hg7  2  0.2436  0.7500  0.0067  1.0
  Hg  Hg8  2  0.3502  0.2500  0.8052  1.0
  Hg  Hg9  2  0.4549  0.7500  0.6028  1.0
]