data_Na2ScCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   6.33
_cell_angle_alpha   96.93
_cell_angle_beta   96.93
_cell_angle_gamma   33.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2ScCd
_chemical_formula_sum   'Na2 Sc1 Cd1'
_cell_volume   109.07
_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  0.66  0.0  0.05  1.0
  Na  Na2  1  0.88  0.0  0.51  1.0
  Sc  Sc3  1  0.07  0.0  0.41  1.0
  Cd  Cd0  1  0.08  0.0  0.45  1.0

data_Na2ScCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   5.61
_cell_length_c   6.33
_cell_angle_alpha   96.93
_cell_angle_beta   90.0
_cell_angle_gamma   106.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2ScCd
_chemical_formula_sum   'Na2 Sc1 Cd1'
_cell_volume   109.07
_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  0.12  0.49  1.0
  Na  Na1  1  0.0  0.34  0.95  1.0
  Sc  Sc2  1  0.0  0.93  0.59  1.0
  Cd  Cd3  1  0.0  0.92  0.55  1.0

Na Na Sc Cd