data_[V18Sb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.5229]
_cell_length_b [5.5229]
_cell_length_c [20.5215]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [V3Sb2]
_chemical_formula_sum '[V18 Sb12]'
_cell_volume [542.0940]
_cell_formula_units_Z [6]
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  0.0191  0.5095  0.1102  1.0
  Sb  Sb1  6  0.0000  0.0000  0.1113  1.0
  Sb  Sb2  6  0.0000  0.0000  0.3309  1.0
]