data_NaCd2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.81
_cell_length_b   9.81
_cell_length_c   9.81
_cell_angle_alpha   18.2
_cell_angle_beta   18.2
_cell_angle_gamma   18.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCd2Ni
_chemical_formula_sum   'Na1 Cd2 Ni1'
_cell_volume   80.48
_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  0.0  1.0
  Cd  Cd0  1  0.0  0.0  0.1  1.0
  Cd  Cd1  1  0.0  0.0  0.84  1.0
  Ni  Ni3  1  0.0  0.0  0.47  1.0

data_NaCd2Ni
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.38
_cell_length_b   3.1
_cell_length_c   9.81
_cell_angle_alpha   90.0
_cell_angle_beta   100.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaCd2Ni
_chemical_formula_sum   'Na2 Cd4 Ni2'
_cell_volume   160.96
_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  0.16  1.0
  Cd  Cd2  2  0.0  0.0  0.9  1.0
  Ni  Ni3  2  0.0  0.0  0.53  1.0

Na Cd Cd Ni