data_[Tl4In2Hg5]
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/m]
_cell_length_a [8.4583]
_cell_length_b [3.5850]
_cell_length_c [10.7628]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.2194]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tl4In2Hg5]
_chemical_formula_sum '[Tl4 In2 Hg5]'
_cell_volume [320.1254]
_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  0.1562  0.5000  0.9082  1.0
  Tl  Tl1  2  0.2958  0.5000  0.4433  1.0
  In  In2  2  0.0599  0.0000  0.6448  1.0
  Hg  Hg3  2  0.2079  0.0000  0.1702  1.0
  Hg  Hg4  2  0.4273  0.0000  0.7094  1.0
  Hg  Hg5  1  0.5000  0.0000  0.0000  1.0
]