data_NaCdNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.45
_cell_length_b   9.45
_cell_length_c   9.45
_cell_angle_alpha   17.22
_cell_angle_beta   17.22
_cell_angle_gamma   17.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCdNi2
_chemical_formula_sum   'Na1 Cd1 Ni2'
_cell_volume   64.5
_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  Na1  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.0  0.96  1.0
  Ni  Ni2  1  0.0  0.0  0.84  1.0
  Ni  Ni3  1  0.0  0.0  0.07  1.0

data_NaCdNi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.9
_cell_length_b   2.83
_cell_length_c   9.45
_cell_angle_alpha   90.0
_cell_angle_beta   99.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaCdNi2
_chemical_formula_sum   'Na2 Cd2 Ni4'
_cell_volume   129.0
_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  0.0  1.0
  Cd  Cd1  2  0.0  0.0  0.04  1.0
  Ni  Ni2  2  0.0  0.0  0.16  1.0
  Ni  Ni3  2  0.0  0.0  0.93  1.0

Na Cd Ni Ni