data_CdGaBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   3.5
_cell_angle_alpha   94.28
_cell_angle_beta   94.28
_cell_angle_gamma   104.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGaBi2
_chemical_formula_sum   'Cd1 Ga1 Bi2'
_cell_volume   109.87
_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  0.51  0.0  0.0  1.0
  Ga  Ga3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.54  0.25  0.74  1.0
  Bi  Bi1  1  0.54  0.75  0.74  1.0

data_CdGaBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   5.71
_cell_length_c   5.71
_cell_angle_alpha   104.18
_cell_angle_beta   94.28
_cell_angle_gamma   94.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGaBi2
_chemical_formula_sum   'Cd1 Ga1 Bi2'
_cell_volume   109.87
_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  -0.0  0.51  0.0  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.74  0.54  0.25  1.0
  Bi  Bi3  1  0.74  0.54  0.75  1.0

Cd Ga Bi Bi