data_[Tl2Ga2I4]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.8615]
_cell_length_b [4.6747]
_cell_length_c [13.4716]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [TlGaI2]
_chemical_formula_sum '[Tl2 Ga2 I4]'
_cell_volume [306.1596]
_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  0.2332  0.0942  1.0
  Ga  Ga1  2  0.5000  0.2884  0.8784  1.0
  I  I2  2  0.0000  0.2502  0.3712  1.0
  I  I3  2  0.5000  0.2628  0.6563  1.0
]