data_[V39Cu6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.6785]
_cell_length_b [6.6785]
_cell_length_c [18.4950]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [V13Cu2]
_chemical_formula_sum '[V39 Cu6]'
_cell_volume [714.4124]
_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  0.0745  0.5373  0.7934  1
  V  V1  18  0.0750  0.5375  0.9247  1
  V  V2  3  -0.0000  -0.0000  0.5000  1
  Cu  Cu3  6  0.0000  0.0000  0.3680  1
]