data_[Tl20In4Hg8Sb4]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [19.8649]
_cell_length_b [4.4755]
_cell_length_c [13.1959]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0118]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Tl5InHg2Sb]
_chemical_formula_sum '[Tl20 In4 Hg8 Sb4]'
_cell_volume [1143.0716]
_cell_formula_units_Z [4]
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  0.0261  0.0000  0.9114  1.0
  Tl  Tl1  2  0.0511  0.5000  0.2612  1.0
  Tl  Tl2  2  0.1113  0.5000  0.5359  1.0
  Tl  Tl3  2  0.1789  0.5000  0.8494  1.0
  Tl  Tl4  2  0.2353  0.0000  0.6922  1.0
  Tl  Tl5  2  0.2482  0.5000  0.2615  1.0
  Tl  Tl6  2  0.3510  0.0000  0.9491  1.0
  Tl  Tl7  2  0.3683  0.0000  0.2230  1.0
  Tl  Tl8  2  0.4526  0.0000  0.6882  1.0
  Tl  Tl9  2  0.4668  0.5000  0.4247  1.0
  In  In10  2  0.2150  0.0000  0.0556  1.0
  In  In11  2  0.2801  0.5000  0.5345  1.0
  Hg  Hg12  2  0.0644  0.0000  0.6806  1.0
  Hg  Hg13  2  0.1674  0.0000  0.3782  1.0
  Hg  Hg14  2  0.3618  0.5000  0.7745  1.0
  Hg  Hg15  2  0.4537  0.5000  0.1113  1.0
  Sb  Sb16  2  0.1135  0.5000  0.0585  1.0
  Sb  Sb17  2  0.3545  0.0000  0.4624  1.0
]