data_CdNiBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.36
_cell_length_b   3.57
_cell_length_c   6.54
_cell_angle_alpha   90.0
_cell_angle_beta   108.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdNiBi2
_chemical_formula_sum   'Cd1 Ni1 Bi2'
_cell_volume   96.37
_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
  Cd  Cd2  1  0.59  0.78  0.1  1.0
  Ni  Ni3  1  0.34  0.0  0.06  1.0
  Bi  Bi0  1  0.25  0.78  0.56  1.0
  Bi  Bi1  1  0.41  0.0  0.58  1.0

data_CdNiBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   4.36
_cell_length_c   6.54
_cell_angle_alpha   108.48
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdNiBi2
_chemical_formula_sum   'Cd1 Ni1 Bi2'
_cell_volume   96.37
_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
  Cd  Cd0  1  0.22  0.41  0.9  1.0
  Ni  Ni1  1  0.0  0.66  0.94  1.0
  Bi  Bi2  1  0.0  0.59  0.42  1.0
  Bi  Bi3  1  0.22  0.75  0.44  1.0

Cd Ni Bi Bi