data_[Nb2V4Mo12]
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 [Pnnm]
_cell_length_a [7.8849]
_cell_length_b [8.0023]
_cell_length_c [4.4898]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [Nb(VMo3)2]
_chemical_formula_sum '[Nb2 V4 Mo12]'
_cell_volume [283.2912]
_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  2  0.0000  0.5000  0.0000  1
  V  V1  4  0.1644  0.2623  0.5000  1
  Mo  Mo2  4  0.0027  0.8347  0.0000  1
  Mo  Mo3  4  0.1627  0.9298  0.5000  1
  Mo  Mo4  4  0.1690  0.5986  0.5000  1
]