data_[Tl2In2Ga2I6]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.9001]
_cell_length_b [4.7608]
_cell_length_c [12.1130]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.5687]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlInGaI3]
_chemical_formula_sum '[Tl2 In2 Ga2 I6]'
_cell_volume [530.9404]
_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  0.1998  0.2500  0.1983  1.0
  In  In1  2  0.3031  0.7500  0.8470  1.0
  Ga  Ga2  2  0.1603  0.2500  0.6372  1.0
  I  I3  2  0.0781  0.2500  0.8954  1.0
  I  I4  2  0.1728  0.7500  0.4679  1.0
  I  I5  2  0.4385  0.7500  0.1353  1.0
]