data_NaCdNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   5.71
_cell_angle_alpha   150.16
_cell_angle_beta   139.24
_cell_angle_gamma   51.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCdNi
_chemical_formula_sum   'Na1 Cd1 Ni1'
_cell_volume   60.08
_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  0.41  1.0
  Cd  Cd0  1  0.0  0.0  0.45  1.0
  Ni  Ni2  1  0.0  0.0  0.43  1.0

data_NaCdNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   3.97
_cell_length_c   5.71
_cell_angle_alpha   110.38
_cell_angle_beta   104.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCdNi
_chemical_formula_sum   'Na1 Cd1 Ni1'
_cell_volume   60.08
_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  0.41  0.41  1.0
  Cd  Cd1  1  0.0  0.45  0.45  1.0
  Ni  Ni2  1  0.0  0.43  0.43  1.0

Na Cd Ni
Na Cd Ni 0 2 o o o 1 2 o o o 