data_CrCdFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.71
_cell_length_b   3.53
_cell_length_c   5.74
_cell_angle_alpha   90.0
_cell_angle_beta   92.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCdFe2
_chemical_formula_sum   'Cr1 Cd1 Fe2'
_cell_volume   54.91
_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  0.87  0.0  0.87  1.0
  Fe  Fe2  1  0.28  0.76  0.16  1.0
  Fe  Fe3  1  0.17  0.76  0.57  1.0

data_CrCdFe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   3.53
_cell_length_c   5.74
_cell_angle_alpha   90.0
_cell_angle_beta   92.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCdFe2
_chemical_formula_sum   'Cr1 Cd1 Fe2'
_cell_volume   54.91
_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  0.87  0.0  0.87  1.0
  Fe  Fe2  1  0.17  0.76  0.57  1.0
  Fe  Fe3  1  0.28  0.76  0.16  1.0

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