data_[Tl24In10Hg4]
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 [20.3460]
_cell_length_b [7.1554]
_cell_length_c [8.6949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0911]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl12In5Hg2]
_chemical_formula_sum '[Tl24 In10 Hg4]'
_cell_volume [1172.9004]
_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  8  0.1007  0.2524  0.3677  1.0
  Tl  Tl1  8  0.2247  0.2670  0.7987  1.0
  Tl  Tl2  4  0.0619  0.5000  0.6832  1.0
  Tl  Tl3  4  0.1014  0.0000  0.8857  1.0
  In  In4  4  0.1393  0.5000  0.0769  1.0
  In  In5  4  0.2478  0.0000  0.5033  1.0
  In  In6  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg7  4  0.0000  0.2643  0.0000  1.0
]