data_CrCdFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   2.83
_cell_length_c   6.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCdFe2
_chemical_formula_sum   'Cr1 Cd1 Fe2'
_cell_volume   52.28
_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  Cr1  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.0  0.26  1.0
  Fe  Fe2  1  0.42  0.42  0.29  1.0
  Fe  Fe3  1  0.42  0.42  0.22  1.0

data_CrCdFe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.01
_cell_length_b   4.01
_cell_length_c   6.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrCdFe2
_chemical_formula_sum   'Cr2 Cd2 Fe4'
_cell_volume   104.55
_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  0.0  0.0  0.26  1.0
  Fe  Fe2  2  0.42  0.0  0.22  1.0
  Fe  Fe3  2  0.42  0.0  0.29  1.0

Cr Cd Fe Fe
Cr Cd Fe Fe 0 1 o o o 1 3 - o o 1 3 o - o 1 3 o o o 1 2 - o o 1 2 o - o 1 2 o o o 2 3 o o o 