data_NaCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35
_cell_length_b   6.35
_cell_length_c   7.59
_cell_angle_alpha   103.55
_cell_angle_beta   103.55
_cell_angle_gamma   29.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCd2
_chemical_formula_sum   'Na2 Cd4'
_cell_volume   146.46
_cell_formula_units_Z   2
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  Na4  1  0.46  0.0  0.48  1.0
  Na  Na5  1  0.98  0.0  0.89  1.0
  Cd  Cd0  1  0.21  0.0  0.3  1.0
  Cd  Cd1  1  0.79  0.0  0.86  1.0
  Cd  Cd2  1  0.23  0.0  0.07  1.0
  Cd  Cd3  1  0.66  0.0  0.5  1.0

data_NaCd2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.24
_cell_length_b   6.35
_cell_length_c   7.59
_cell_angle_alpha   103.55
_cell_angle_beta   90.0
_cell_angle_gamma   104.77
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NaCd2
_chemical_formula_sum   'Na2 Cd4'
_cell_volume   146.46
_cell_formula_units_Z   2
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  2  0.0  0.26  0.21  1.0
  Cd  Cd1  2  0.0  0.06  0.18  1.0
  Cd  Cd2  2  0.0  0.49  0.62  1.0

Na Na Cd Cd Cd Cd