data_[V4Mo8W12]
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 [Cmmm]
_cell_length_a [4.4661]
_cell_length_b [9.4768]
_cell_length_c [8.8850]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [VMo2W3]
_chemical_formula_sum '[V4 Mo8 W12]'
_cell_volume [376.0514]
_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
[
  V  V0  4  0.0000  0.3339  0.0000  1.0
  Mo  Mo1  4  0.0000  0.3336  0.5000  1.0
  Mo  Mo2  2  0.0000  0.0000  0.0000  1.0
  Mo  Mo3  2  0.0000  0.0000  0.5000  1.0
  W  W4  8  0.0000  0.1675  0.2458  1.0
  W  W5  4  0.0000  0.5000  0.2471  1.0
]