data_[Tl4In4Ga4Hg12]
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
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.3887]
_cell_length_b [5.3934]
_cell_length_c [6.2054]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.3938]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlInGaHg3]
_chemical_formula_sum '[Tl4 In4 Ga4 Hg12]'
_cell_volume [648.7163]
_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  4  0.2096  0.5000  0.8811  1.0
  In  In1  4  0.1326  0.5000  0.3678  1.0
  Ga  Ga2  4  0.0428  0.0000  0.6785  1.0
  Hg  Hg3  4  0.0311  0.5000  0.7757  1.0
  Hg  Hg4  4  0.1020  0.0000  0.1193  1.0
  Hg  Hg5  4  0.1954  0.0000  0.5918  1.0
]