data_[Tl10In2Hg8]
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 [C2/m]
_cell_length_a [17.5542]
_cell_length_b [4.9945]
_cell_length_c [7.0893]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3316]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl5InHg4]
_chemical_formula_sum '[Tl10 In2 Hg8]'
_cell_volume [586.5046]
_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  0.1205  0.0000  0.8145  1.0
  Tl  Tl1  4  0.2081  0.5000  0.6020  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  In  In3  2  0.0000  0.5000  0.0000  1.0
  Hg  Hg4  4  0.0814  0.0000  0.2892  1.0
  Hg  Hg5  4  0.1855  0.5000  0.1145  1.0
]