data_[Tl2In6Ga8]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.8672]
_cell_length_b [3.2103]
_cell_length_c [6.0689]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0033]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlIn3Ga4]
_chemical_formula_sum '[Tl2 In6 Ga8]'
_cell_volume [381.1917]
_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  0.5000  0.0000  1
  In  In1  4  0.1458  0.0000  0.8772  1
  In  In2  2  0.0000  0.0000  0.5000  1
  Ga  Ga3  4  0.1293  0.5000  0.3889  1
  Ga  Ga4  4  0.2425  0.0000  0.3026  1
]