data_[Ti3Nb3Ge3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Nb  1.6000  1.4500  0.8200
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.9340]
_cell_length_b [6.9340]
_cell_length_c [3.6077]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [TiNbGe]
_chemical_formula_sum '[Ti3 Nb3 Ge3]'
_cell_volume [150.2203]
_cell_formula_units_Z [3]
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  3  0.0000  0.7448  0.0000  1.0
  Nb  Nb1  3  0.0000  0.4152  0.5000  1.0
  Ge  Ge2  2  0.3333  0.6667  0.0000  1.0
  Ge  Ge3  1  0.0000  0.0000  0.5000  1.0
]