data_[Ti16Ga4Ge32]
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
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [10.1959]
_cell_length_b [10.1959]
_cell_length_c [10.1959]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [Ti4GaGe8]
_chemical_formula_sum '[Ti16 Ga4 Ge32]'
_cell_volume [1059.9358]
_cell_formula_units_Z [4]
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  0.0975  0.0975  0.4025  1
  Ga  Ga1  4  0.0000  0.0000  0.0000  1
  Ge  Ge2  16  0.1515  0.1515  0.1515  1
  Ge  Ge3  16  0.1570  0.1570  0.6570  1
]