data_BaCdNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   6.07
_cell_angle_alpha   108.08
_cell_angle_beta   108.08
_cell_angle_gamma   54.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCdNi2
_chemical_formula_sum   'Ba1 Cd1 Ni2'
_cell_volume   96.21
_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  0.94  0.0  0.86  1.0
  Cd  Cd1  1  0.41  0.0  0.42  1.0
  Ni  Ni2  1  0.86  0.0  0.63  1.0
  Ni  Ni3  1  0.67  0.0  0.31  1.0

data_BaCdNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.19
_cell_length_b   4.55
_cell_length_c   6.07
_cell_angle_alpha   108.08
_cell_angle_beta   90.0
_cell_angle_gamma   117.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCdNi2
_chemical_formula_sum   'Ba1 Cd1 Ni2'
_cell_volume   96.21
_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  0.06  0.14  1.0
  Cd  Cd1  1  0.0  0.59  0.58  1.0
  Ni  Ni2  1  0.0  0.14  0.37  1.0
  Ni  Ni3  1  0.0  0.33  0.69  1.0

Ba Cd Ni Ni