data_[Nb16V4Mo2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  V  1.6300  1.3500  0.7775
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.1947]
_cell_length_b [4.5987]
_cell_length_c [5.4288]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0323]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nb8V2Mo]
_chemical_formula_sum '[Nb16 V4 Mo2]'
_cell_volume [379.3412]
_cell_formula_units_Z [2]
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  0.0470  0.0000  0.7356  1.0
  Nb  Nb1  4  0.0936  0.5000  0.4498  1.0
  Nb  Nb2  4  0.1409  0.0000  0.1915  1.0
  Nb  Nb3  4  0.1828  0.5000  0.9057  1.0
  V  V4  4  0.2293  0.0000  0.6265  1.0
  Mo  Mo5  2  0.0000  0.5000  0.0000  1.0
]