data_BaNaCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.03
_cell_length_b   4.27
_cell_length_c   7.65
_cell_angle_alpha   90.0
_cell_angle_beta   92.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNaCd2
_chemical_formula_sum   'Ba1 Na1 Cd2'
_cell_volume   131.43
_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
  Ba  Ba0  1  0.84  0.0  0.82  1.0
  Na  Na3  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.79  0.13  0.09  1.0
  Cd  Cd2  1  0.91  0.13  0.56  1.0

data_BaNaCd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.03
_cell_length_b   4.27
_cell_length_c   7.65
_cell_angle_alpha   90.0
_cell_angle_beta   92.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNaCd2
_chemical_formula_sum   'Ba1 Na1 Cd2'
_cell_volume   131.43
_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
  Ba  Ba0  1  0.84  0.0  0.82  1.0
  Na  Na1  1  0.0  0.0  0.0  1.0
  Cd  Cd2  1  0.79  0.13  0.09  1.0
  Cd  Cd3  1  0.91  0.13  0.56  1.0

Ba Na Cd Cd
Ba Na Cd Cd 0 1 + o + 0 3 o o o 1 2 - o o 