data_[Nb16Mo8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.3745]
_cell_length_b [5.3745]
_cell_length_c [17.4410]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [Nb2Mo]
_chemical_formula_sum '[Nb16 Mo8]'
_cell_volume [436.2992]
_cell_formula_units_Z [8]
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  6  0.0000  0.5000  0.0000  1
  Nb  Nb1  6  0.1627  0.3255  0.2500  1
  Nb  Nb2  4  0.3333  0.6667  0.1237  1
  Mo  Mo3  4  0.0000  0.0000  0.0960  1
  Mo  Mo4  4  0.3333  0.6667  0.6561  1
]