data_Na2ScCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.28
_cell_length_b   6.28
_cell_length_c   6.28
_cell_angle_alpha   139.13
_cell_angle_beta   139.13
_cell_angle_gamma   59.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2ScCd
_chemical_formula_sum   'Na2 Sc1 Cd1'
_cell_volume   105.17
_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  0.19  0.73  1.0
  Na  Na2  1  0.19  0.0  0.73  1.0
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.0  0.46  1.0

data_Na2ScCd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.2
_cell_length_b   6.2
_cell_length_c   6.28
_cell_angle_alpha   90.0
_cell_angle_beta   119.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Na2ScCd
_chemical_formula_sum   'Na4 Sc2 Cd2'
_cell_volume   210.34
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.1  0.1  0.46  1.0
  Sc  Sc1  2  0.0  0.0  0.0  1.0
  Cd  Cd2  2  0.0  0.0  0.54  1.0

Na Na Sc Cd