data_CrCd2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.68
_cell_length_b   3.68
_cell_length_c   6.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCd2Bi
_chemical_formula_sum   'Cr1 Cd2 Bi1'
_cell_volume   93.54
_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
  Cr  Cr3  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.84  0.84  0.43  1.0
  Cd  Cd2  1  0.84  0.84  0.47  1.0
  Bi  Bi0  1  0.0  0.0  0.45  1.0

data_CrCd2Bi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   6.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrCd2Bi
_chemical_formula_sum   'Cr2 Cd4 Bi2'
_cell_volume   187.08
_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
  Cr  Cr0  2  0.0  0.0  0.0  1.0
  Cd  Cd1  2  0.34  0.5  0.43  1.0
  Cd  Cd2  2  0.34  0.5  0.47  1.0
  Bi  Bi3  2  0.0  0.0  0.45  1.0

Cr Cd Cd Bi
Cr Cd Cd Bi 0 2 - - - 0 2 - - o 0 1 - - o 0 0 + o o 0 0 o + o 0 3 o o - 0 3 o o o 1 2 o o o 1 3 + + o 2 3 + + o 