data_[V6Cd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [2.9155]
_cell_length_b [11.1021]
_cell_length_c [7.1360]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [VCd]
_chemical_formula_sum '[V6 Cd6]'
_cell_volume [230.9786]
_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  4  0.0000  0.3908  0.9979  1
  V  V1  2  0.0000  0.0000  0.2091  1
  Cd  Cd2  4  0.0000  0.2373  0.3172  1
  Cd  Cd3  2  0.0000  0.5000  0.3846  1
]