data_NbCrCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.15
_cell_length_b   10.15
_cell_length_c   10.15
_cell_angle_alpha   16.28
_cell_angle_beta   16.28
_cell_angle_gamma   16.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCrCd2
_chemical_formula_sum   'Nb1 Cr1 Cd2'
_cell_volume   71.72
_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  Nb3  1  0.0  0.0  0.71  1.0
  Cr  Cr2  1  0.0  0.0  0.99  1.0
  Cd  Cd0  1  0.0  0.0  0.04  1.0
  Cd  Cd1  1  0.0  0.0  0.33  1.0

data_NbCrCd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.98
_cell_length_b   2.88
_cell_length_c   10.15
_cell_angle_alpha   90.0
_cell_angle_beta   99.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbCrCd2
_chemical_formula_sum   'Nb2 Cr2 Cd4'
_cell_volume   143.44
_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  0.29  1.0
  Cr  Cr1  2  0.0  0.0  0.01  1.0
  Cd  Cd2  2  0.0  0.0  0.67  1.0
  Cd  Cd3  2  0.0  0.0  0.96  1.0

Nb Cr Cd Cd