data_[Li1Tl1Ga2I4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [P2/m]
_cell_length_a [8.0608]
_cell_length_b [4.6912]
_cell_length_c [8.2422]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1108]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [LiTl(GaI2)2]
_chemical_formula_sum '[Li1 Tl1 Ga2 I4]'
_cell_volume [294.4992]
_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
[
  Li  Li0  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  1  0.0000  0.5000  0.5000  1.0
  Ga  Ga2  1  0.5000  0.0000  0.5000  1.0
  Ga  Ga3  1  0.5000  0.5000  0.0000  1.0
  I  I4  2  0.2425  0.5000  0.2293  1.0
  I  I5  2  0.2491  0.0000  0.7776  1.0
]