data_NbCrCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   5.42
_cell_angle_alpha   96.29
_cell_angle_beta   96.29
_cell_angle_gamma   32.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCrCd2
_chemical_formula_sum   'Nb1 Cr1 Cd2'
_cell_volume   70.99
_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  0.94  0.0  0.53  1.0
  Cr  Cr2  1  0.46  0.0  0.5  1.0
  Cd  Cd0  1  0.82  0.0  0.35  1.0
  Cd  Cd1  1  0.85  0.0  0.07  1.0

data_NbCrCd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.93
_cell_length_c   5.42
_cell_angle_alpha   96.29
_cell_angle_beta   90.0
_cell_angle_gamma   106.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCrCd2
_chemical_formula_sum   'Nb1 Cr1 Cd2'
_cell_volume   70.99
_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  Nb0  1  0.0  0.06  0.47  1.0
  Cr  Cr1  1  0.0  0.54  0.5  1.0
  Cd  Cd2  1  0.0  0.15  0.93  1.0
  Cd  Cd3  1  0.0  0.18  0.65  1.0

Nb Cr Cd Cd
Nb Cr Cd Cd 0 2 o o o 0 1 o o o 1 2 o o o 2 3 o o o 