data_[Tl2Ga2Cl6]
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 [P-1]
_cell_length_a [7.1957]
_cell_length_b [7.3248]
_cell_length_c [7.3802]
_cell_angle_alpha [62.3714]
_cell_angle_beta [62.2484]
_cell_angle_gamma [61.0870]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlGaCl3]
_chemical_formula_sum '[Tl2 Ga2 Cl6]'
_cell_volume [286.6859]
_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  0.2450  0.2585  0.2703  1.0
  Ga  Ga1  1  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  1  0.5000  0.5000  0.5000  1.0
  Cl  Cl3  2  0.2256  0.3184  0.6934  1.0
  Cl  Cl4  2  0.2440  0.7893  0.6616  1.0
  Cl  Cl5  2  0.3500  0.6981  0.2033  1.0
]