data_[Nb12V4Mo4]
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 [P2_1/c]
_cell_length_a [7.7244]
_cell_length_b [5.6825]
_cell_length_c [9.4695]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.1457]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nb3VMo]
_chemical_formula_sum '[Nb12 V4 Mo4]'
_cell_volume [351.9342]
_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  4  0.0368  0.0832  0.8017  1
  Nb  Nb1  4  0.3546  0.1485  0.2307  1
  Nb  Nb2  4  0.3665  0.6667  0.3934  1
  V  V3  4  0.3121  0.0809  0.4910  1
  Mo  Mo4  4  0.1172  0.6979  0.0516  1
]