data_TiCdBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13
_cell_length_b   6.13
_cell_length_c   6.13
_cell_angle_alpha   138.38
_cell_angle_beta   138.38
_cell_angle_gamma   60.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCdBi2
_chemical_formula_sum   'Ti1 Cd1 Bi2'
_cell_volume   100.46
_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
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Cd  Cd2  1  0.0  0.18  0.65  1.0
  Bi  Bi0  1  0.18  0.0  0.65  1.0
  Bi  Bi1  1  0.0  0.0  0.3  1.0

data_TiCdBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   6.13
_cell_angle_alpha   110.81
_cell_angle_beta   110.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCdBi2
_chemical_formula_sum   'Ti1 Cd1 Bi2'
_cell_volume   100.46
_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
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.53  0.18  0.53  1.0
  Bi  Bi2  1  0.35  0.0  0.53  1.0
  Bi  Bi3  1  0.7  0.0  0.7  1.0

Ti Cd Bi Bi
Ti Cd Bi Bi 0 3 o o o 1 2 o o o 1 3 o o o 2 3 o o o 