data_[Tl4Ga4Hg4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.9091]
_cell_length_b [9.5863]
_cell_length_c [8.3836]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.6803]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlGaHgCl4]
_chemical_formula_sum '[Tl4 Ga4 Hg4 Cl16]'
_cell_volume [1088.7517]
_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  0.2034  0.5000  0.7943  1.0
  Ga  Ga1  4  0.1838  0.5000  0.2841  1.0
  Hg  Hg2  4  0.0627  0.0000  0.8653  1.0
  Cl  Cl3  8  0.1771  0.3159  0.1197  1.0
  Cl  Cl4  4  0.0580  0.5000  0.3582  1.0
  Cl  Cl5  4  0.1801  0.0000  0.4718  1.0
]