data_[Nb3Si3Ge3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Si  1.9000  1.1000  0.5400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P3_212]
_cell_length_a [4.9159]
_cell_length_b [4.9159]
_cell_length_c [6.7243]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [153]
_chemical_formula_structural [NbSiGe]
_chemical_formula_sum '[Nb3 Si3 Ge3]'
_cell_volume [140.7311]
_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
[
  Nb  Nb0  3  0.0037  0.5019  0.0000  1.0
  Si  Si1  3  0.1623  0.3246  0.3333  1.0
  Ge  Ge2  3  0.3233  0.1616  0.0000  1.0
]