data_[V36Mo21W3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Mo  2.1600  1.4500  0.7750
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.4272]
_cell_length_b [9.4272]
_cell_length_c [11.7418]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [V12Mo7W]
_chemical_formula_sum '[V36 Mo21 W3]'
_cell_volume [903.7021]
_cell_formula_units_Z [3]
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
[
  V  V0  18  0.0232  0.4473  0.7058  1
  V  V1  18  0.0579  0.5914  0.0873  1
  Mo  Mo2  18  0.0502  0.1892  0.8069  1
  Mo  Mo3  3  -0.0000  0.0000  0.5000  1
  W  W4  3  0.0000  0.0000  0.0000  1
]