data_[Ti16Ga24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [9.1870]
_cell_length_b [13.1073]
_cell_length_c [5.3123]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [Ti2Ga3]
_chemical_formula_sum '[Ti16 Ga24]'
_cell_volume [639.6878]
_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
[
  Ti  Ti0  16  0.0592  0.3026  0.2312  1.0
  Ga  Ga1  16  0.0643  0.3895  0.7145  1.0
  Ga  Ga2  8  0.0000  0.0000  0.6283  1.0
]