data_[Tl16Ga24]
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
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [10.4641]
_cell_length_b [15.0500]
_cell_length_c [6.1973]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [Tl2Ga3]
_chemical_formula_sum '[Tl16 Ga24]'
_cell_volume [975.9854]
_cell_formula_units_Z [8]
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  16  0.0852  0.1994  0.8631  1
  Ga  Ga1  16  0.0720  0.1216  0.3611  1
  Ga  Ga2  8  0.0000  0.0000  0.0517  1
]