data_NbCdCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   33.56
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCdCo2
_chemical_formula_sum   'Nb1 Cd1 Co2'
_cell_volume   59.97
_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  0.86  1.0
  Cd  Cd0  1  0.04  0.0  0.78  1.0
  Co  Co1  1  0.0  0.0  0.81  1.0
  Co  Co2  1  0.04  0.0  0.15  1.0

data_NbCdCo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.08
_cell_length_c   5.15
_cell_angle_alpha   90.0
_cell_angle_beta   106.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCdCo2
_chemical_formula_sum   'Nb1 Cd1 Co2'
_cell_volume   59.97
_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  0.14  0.0  0.14  1.0
  Cd  Cd1  1  0.22  0.04  0.22  1.0
  Co  Co2  1  0.19  0.0  0.19  1.0
  Co  Co3  1  0.85  0.04  0.85  1.0

Nb Cd Co Co
Nb Cd Co Co 0 2 o o o 0 3 o o + 1 2 o o o 2 3 o o + 