data_[Tl2Ga4Cl16]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0382]
_cell_length_b [9.2494]
_cell_length_c [6.4665]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.3342]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl(GaCl4)2]
_chemical_formula_sum '[Tl2 Ga4 Cl16]'
_cell_volume [769.5096]
_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  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga1  4  0.2021  0.0000  0.6590  1.0
  Cl  Cl2  8  0.1142  0.1892  0.7563  1.0
  Cl  Cl3  4  0.1358  0.5000  0.2077  1.0
  Cl  Cl4  4  0.1899  0.0000  0.3103  1.0
]