data_[Nb12V10Mo2]
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 [Cmmm]
_cell_length_a [4.5252]
_cell_length_b [13.4621]
_cell_length_c [6.3622]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Nb6V5Mo]
_chemical_formula_sum '[Nb12 V10 Mo2]'
_cell_volume [387.5771]
_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  8  0.0000  0.1670  0.2513  1
  Nb  Nb1  4  0.0000  0.5000  0.2506  1
  V  V2  4  0.0000  0.3293  0.0000  1
  V  V3  4  0.0000  0.3332  0.5000  1
  V  V4  2  0.0000  0.0000  0.5000  1
  Mo  Mo5  2  0.0000  0.0000  0.0000  1
]