data_[Nb4Ge4Sb4]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.8988]
_cell_length_b [3.5577]
_cell_length_c [7.8137]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.1823]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [NbGeSb]
_chemical_formula_sum '[Nb4 Ge4 Sb4]'
_cell_volume [249.0247]
_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
[
  Nb  Nb0  2  0.0306  0.0000  0.4175  1
  Nb  Nb1  2  0.4471  0.0000  0.7153  1
  Ge  Ge2  2  0.1581  0.0000  0.8849  1
  Ge  Ge3  2  0.2190  0.5000  0.6555  1
  Sb  Sb4  2  0.2818  0.0000  0.3269  1
  Sb  Sb5  2  0.4664  0.0000  0.0934  1
]