data_Nb2VCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.2
_cell_length_b   10.2
_cell_length_c   10.2
_cell_angle_alpha   16.09
_cell_angle_beta   16.09
_cell_angle_gamma   16.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2VCd
_chemical_formula_sum   'Nb2 V1 Cd1'
_cell_volume   71.01
_cell_formula_units_Z   1
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
  Nb  Nb1  1  0.0  0.0  0.53  1.0
  Nb  Nb2  1  0.0  0.0  0.66  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.0  0.1  1.0

data_Nb2VCd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.94
_cell_length_b   2.85
_cell_length_c   10.2
_cell_angle_alpha   90.0
_cell_angle_beta   99.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Nb2VCd
_chemical_formula_sum   'Nb4 V2 Cd2'
_cell_volume   142.01
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Nb  Nb0  2  0.0  0.0  0.34  1.0
  Nb  Nb1  2  0.0  0.0  0.47  1.0
  V  V2  2  0.0  0.0  0.0  1.0
  Cd  Cd3  2  0.0  0.0  0.9  1.0

Nb Nb V Cd
Nb Nb V Cd 0 1 o o o 2 3 o o o 