data_[Nb3Ge3W3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Ge  2.0100  1.2500  0.7700
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.0934]
_cell_length_b [7.0934]
_cell_length_c [3.3657]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [NbGeW]
_chemical_formula_sum '[Nb3 Ge3 W3]'
_cell_volume [146.6622]
_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  0.0000  0.4006  0.0000  1
  Ge  Ge1  2  0.3333  0.6667  0.5000  1
  Ge  Ge2  1  0.0000  0.0000  0.0000  1
  W  W3  3  0.0000  0.7379  0.5000  1
]