data_[Nb6Ge6Mo6]
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
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [12.2386]
_cell_length_b [3.4272]
_cell_length_c [7.0570]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [NbGeMo]
_chemical_formula_sum '[Nb6 Ge6 Mo6]'
_cell_volume [296.0010]
_cell_formula_units_Z [6]
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  4  0.0487  0.0000  0.7529  1
  Nb  Nb1  2  0.2500  0.0000  0.1662  1
  Ge  Ge2  4  0.0959  0.5000  0.0632  1
  Ge  Ge3  2  0.2500  0.0000  0.5526  1
  Mo  Mo4  4  0.1124  0.5000  0.4332  1
  Mo  Mo5  2  0.2500  0.5000  0.8136  1
]