data_[Al12V28W4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  V  1.6300  1.3500  0.7775
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [2.6363]
_cell_length_b [18.6352]
_cell_length_c [13.4456]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Al3V7W]
_chemical_formula_sum '[Al12 V28 W4]'
_cell_volume [660.5488]
_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
[
  Al  Al0  8  0.0000  0.1201  0.0367  1
  Al  Al1  4  0.0000  0.2254  0.7500  1
  V  V2  8  0.0000  0.2606  0.0780  1
  V  V3  8  0.0000  0.3795  0.1556  1
  V  V4  8  0.0000  0.4915  0.0818  1
  V  V5  4  0.0000  0.3616  0.7500  1
  W  W6  4  0.0000  0.0097  0.2500  1
]