data_CaCdBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.11
_cell_length_b   7.05
_cell_length_c   3.66
_cell_angle_alpha   75.95
_cell_angle_beta   74.1
_cell_angle_gamma   29.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCdBi
_chemical_formula_sum   'Ca1 Cd1 Bi1'
_cell_volume   88.07
_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
  Ca  Ca1  1  0.5  0.67  0.83  1.0
  Cd  Cd2  1  0.5  0.67  0.44  1.0
  Bi  Bi0  1  0.5  0.67  0.09  1.0

data_CaCdBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.01
_cell_length_b   13.18
_cell_length_c   3.66
_cell_angle_alpha   90.0
_cell_angle_beta   133.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaCdBi
_chemical_formula_sum   'Ca2 Cd2 Bi2'
_cell_volume   176.14
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ca  Ca0  2  0.0  0.0  0.67  1.0
  Cd  Cd1  2  0.39  0.0  0.06  1.0
  Bi  Bi2  2  0.24  0.5  0.41  1.0

Ca Cd Bi
Ca Cd Bi 0 2 o o + 0 1 o o o 1 2 o o o 