data_[Tl1In1Ga2I4]
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/m]
_cell_length_a [8.3509]
_cell_length_b [4.8240]
_cell_length_c [8.4216]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3216]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [TlIn(GaI2)2]
_chemical_formula_sum '[Tl1 In1 Ga2 I4]'
_cell_volume [320.1541]
_cell_formula_units_Z [1]
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  1  0.5000  0.0000  0.5000  1
  In  In1  1  0.0000  0.5000  0.5000  1
  Ga  Ga2  1  0.0000  0.0000  0.0000  1
  Ga  Ga3  1  0.5000  0.5000  0.0000  1
  I  I4  2  0.2422  0.5000  0.2307  1
  I  I5  2  0.2542  0.0000  0.7674  1
]