data_NbCd2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   2.93
_cell_length_c   8.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCd2Co
_chemical_formula_sum   'Nb1 Cd2 Co1'
_cell_volume   69.98
_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  0.08  1.0
  Cd  Cd0  1  0.46  0.46  0.35  1.0
  Cd  Cd1  1  0.46  0.46  0.82  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0

data_NbCd2Co
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.14
_cell_length_b   4.14
_cell_length_c   8.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbCd2Co
_chemical_formula_sum   'Nb2 Cd4 Co2'
_cell_volume   139.97
_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  0.08  1.0
  Cd  Cd1  2  0.46  0.0  0.35  1.0
  Cd  Cd2  2  0.46  0.0  0.82  1.0
  Co  Co3  2  0.0  0.0  0.0  1.0

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