data_[Al3V24W9]
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 [R3m]
_cell_length_a [4.9240]
_cell_length_b [4.9240]
_cell_length_c [24.3949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [AlV8W3]
_chemical_formula_sum '[Al3 V24 W9]'
_cell_volume [512.2370]
_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
[
  Al  Al0  3  0.0000  0.0000  0.8747  1.0
  V  V1  9  0.0002  0.5001  0.9381  1.0
  V  V2  9  0.1670  0.3339  0.7707  1.0
  V  V3  3  0.0000  0.0000  0.1863  1.0
  V  V4  3  0.0000  0.0000  0.6882  1.0
  W  W5  3  0.0000  0.0000  0.0006  1.0
  W  W6  3  0.0000  0.0000  0.3748  1.0
  W  W7  3  0.0000  0.0000  0.4991  1.0
]