data_CrCd2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   5.28
_cell_angle_alpha   102.02
_cell_angle_beta   102.02
_cell_angle_gamma   33.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCd2Bi
_chemical_formula_sum   'Cr1 Cd2 Bi1'
_cell_volume   92.39
_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  1.0  0.0  0.97  1.0
  Cd  Cd2  1  0.74  0.0  0.18  1.0
  Bi  Bi0  1  0.87  0.0  0.58  1.0

data_CrCd2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   5.28
_cell_length_c   5.69
_cell_angle_alpha   102.02
_cell_angle_beta   106.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCd2Bi
_chemical_formula_sum   'Cr1 Cd2 Bi1'
_cell_volume   92.39
_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  Cr0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.18  0.74  1.0
  Cd  Cd2  1  0.0  0.97  1.0  1.0
  Bi  Bi3  1  0.0  0.58  0.87  1.0

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