data_NaHfCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   4.9
_cell_length_c   6.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHfCd2
_chemical_formula_sum   'Na1 Hf1 Cd2'
_cell_volume   92.14
_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  Na3  1  0.0  0.0  0.86  1.0
  Hf  Hf2  1  0.5  0.45  0.92  1.0
  Cd  Cd0  1  0.5  0.45  0.13  1.0
  Cd  Cd1  1  0.0  0.0  0.76  1.0

data_NaHfCd2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.9
_cell_length_b   3.0
_cell_length_c   6.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   NaHfCd2
_chemical_formula_sum   'Na1 Hf1 Cd2'
_cell_volume   92.14
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.86  1.0
  Hf  Hf1  1  0.45  0.5  0.92  1.0
  Cd  Cd2  1  0.0  0.0  0.76  1.0
  Cd  Cd3  1  0.45  0.5  0.13  1.0

Na Hf Cd Cd
Na Hf Cd Cd 0 3 o o o 1 2 o o + 