data_NaCdNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   4.81
_cell_angle_alpha   131.68
_cell_angle_beta   131.68
_cell_angle_gamma   70.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCdNi2
_chemical_formula_sum   'Na1 Cd1 Ni2'
_cell_volume   60.71
_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  0.97  0.96  1.0
  Ni  Ni2  1  0.97  0.0  0.96  1.0
  Ni  Ni3  1  0.0  0.0  0.92  1.0

data_NaCdNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.94
_cell_length_b   3.94
_cell_length_c   4.81
_cell_angle_alpha   114.16
_cell_angle_beta   114.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCdNi2
_chemical_formula_sum   'Na1 Cd1 Ni2'
_cell_volume   60.71
_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  Na0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.99  0.96  0.99  1.0
  Ni  Ni2  1  0.92  0.92  0.92  1.0
  Ni  Ni3  1  0.96  0.99  0.99  1.0

Na Cd Ni Ni