data_[Tl6Ga2Cl8]
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 [Imm2]
_cell_length_a [7.0381]
_cell_length_b [12.1288]
_cell_length_c [6.4837]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Tl3GaCl4]
_chemical_formula_sum '[Tl6 Ga2 Cl8]'
_cell_volume [553.4702]
_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  4  0.0000  0.2110  0.4665  1.0
  Tl  Tl1  2  0.0000  0.0000  0.9955  1.0
  Ga  Ga2  2  0.0000  0.5000  0.8461  1.0
  Cl  Cl3  4  0.0000  0.2542  0.9175  1.0
  Cl  Cl4  4  0.2439  0.0000  0.6197  1.0
]