data_NaCd2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28
_cell_length_b   3.28
_cell_length_c   9.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   97.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCd2Sb
_chemical_formula_sum   'Na1 Cd2 Sb1'
_cell_volume   104.77
_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  Na2  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.16  0.0  0.37  1.0
  Cd  Cd1  1  0.16  0.0  0.44  1.0
  Sb  Sb3  1  0.0  0.0  0.9  1.0

data_NaCd2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   3.28
_cell_length_c   9.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   97.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCd2Sb
_chemical_formula_sum   'Na1 Cd2 Sb1'
_cell_volume   104.77
_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  0.0  0.0  1.0
  Cd  Cd1  1  0.16  0.0  0.37  1.0
  Cd  Cd2  1  0.16  0.0  0.44  1.0
  Sb  Sb3  1  0.0  0.0  0.9  1.0

Na Cd Cd Sb
Na Cd Cd Sb 0 3 o o - 1 2 o o o 