data_[Tl10In2Hg4]
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 [Pbam]
_cell_length_a [8.1208]
_cell_length_b [12.6087]
_cell_length_c [4.7628]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Tl5InHg2]
_chemical_formula_sum '[Tl10 In2 Hg4]'
_cell_volume [487.6708]
_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  4  0.0967  0.2498  0.0000  1.0
  Tl  Tl1  4  0.1870  0.8723  0.5000  1.0
  Tl  Tl2  2  0.0000  0.0000  0.0000  1.0
  In  In3  2  0.0000  0.5000  0.0000  1.0
  Hg  Hg4  4  0.1711  0.6169  0.5000  1.0
]