data_CdFe2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   4.96
_cell_angle_alpha   99.11
_cell_angle_beta   99.11
_cell_angle_gamma   35.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdFe2Cu
_chemical_formula_sum   'Cd1 Fe2 Cu1'
_cell_volume   57.06
_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
  Cd  Cd0  1  0.87  0.0  0.41  1.0
  Fe  Fe2  1  0.19  0.0  0.84  1.0
  Fe  Fe3  1  0.57  0.0  0.87  1.0
  Cu  Cu1  1  0.19  0.0  0.11  1.0

data_CdFe2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   4.5
_cell_length_c   4.96
_cell_angle_alpha   99.11
_cell_angle_beta   90.0
_cell_angle_gamma   107.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdFe2Cu
_chemical_formula_sum   'Cd1 Fe2 Cu1'
_cell_volume   57.06
_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
  Cd  Cd0  1  0.0  0.13  0.59  1.0
  Fe  Fe1  1  0.0  0.43  0.13  1.0
  Fe  Fe2  1  0.0  0.81  0.16  1.0
  Cu  Cu3  1  0.0  0.81  0.89  1.0

Cd Fe Fe Cu