data_Ba2NbCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93
_cell_length_b   5.93
_cell_length_c   6.65
_cell_angle_alpha   101.81
_cell_angle_beta   101.81
_cell_angle_gamma   37.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2NbCd
_chemical_formula_sum   'Ba2 Nb1 Cd1'
_cell_volume   140.16
_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  0.77  0.0  0.91  1.0
  Ba  Ba1  1  0.02  0.0  0.58  1.0
  Nb  Nb3  1  0.0  0.0  0.0  1.0
  Cd  Cd2  1  0.89  0.0  0.25  1.0

data_Ba2NbCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   5.93
_cell_length_c   6.65
_cell_angle_alpha   101.81
_cell_angle_beta   90.0
_cell_angle_gamma   108.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2NbCd
_chemical_formula_sum   'Ba2 Nb1 Cd1'
_cell_volume   140.16
_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  0.0  0.23  0.09  1.0
  Ba  Ba1  1  0.0  0.98  0.42  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Cd  Cd3  1  0.0  0.11  0.75  1.0

Ba Ba Nb Cd