data_[Ti20Ga8Ge8]
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 [Ima2]
_cell_length_a [15.8946]
_cell_length_b [5.2637]
_cell_length_c [7.1403]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Ti5(GaGe)2]
_chemical_formula_sum '[Ti20 Ga8 Ge8]'
_cell_volume [597.3886]
_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  8  0.0892  0.6244  0.7073  1
  Ti  Ti1  8  0.1644  0.0872  0.8603  1
  Ti  Ti2  4  0.2500  0.6034  0.0283  1
  Ga  Ga3  8  0.0758  0.0922  0.5496  1
  Ge  Ge4  4  0.0000  0.0000  0.8997  1
  Ge  Ge5  4  0.2500  0.0652  0.1739  1
]