data_NaCdCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.87
_cell_length_b   6.87
_cell_length_c   6.87
_cell_angle_alpha   153.56
_cell_angle_beta   153.56
_cell_angle_gamma   37.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCdCu
_chemical_formula_sum   'Na1 Cd1 Cu1'
_cell_volume   64.07
_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
  Na  Na2  1  0.0  0.0  0.83  1.0
  Cd  Cd0  1  0.0  0.0  0.66  1.0
  Cu  Cu1  1  0.0  0.0  0.49  1.0

data_NaCdCu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   6.87
_cell_angle_alpha   90.0
_cell_angle_beta   108.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaCdCu
_chemical_formula_sum   'Na2 Cd2 Cu2'
_cell_volume   128.14
_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
  Na  Na0  2  0.0  0.0  0.17  1.0
  Cd  Cd1  2  0.0  0.0  0.34  1.0
  Cu  Cu2  2  0.0  0.0  0.51  1.0

Na Cd Cu
Na Cd Cu 0 1 o o o 1 2 o o o 