data_CrCdCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   2.89
_cell_angle_alpha   92.95
_cell_angle_beta   92.95
_cell_angle_gamma   105.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCdCu2
_chemical_formula_sum   'Cr1 Cd1 Cu2'
_cell_volume   60.31
_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  0.82  0.0  0.0  1.0
  Cu  Cu2  1  0.28  0.14  0.44  1.0
  Cu  Cu3  1  0.28  0.86  0.44  1.0

data_CrCdCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.66
_cell_length_c   4.66
_cell_angle_alpha   105.73
_cell_angle_beta   92.95
_cell_angle_gamma   92.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCdCu2
_chemical_formula_sum   'Cr1 Cd1 Cu2'
_cell_volume   60.31
_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  0.82  0.0  1.0
  Cu  Cu2  1  0.44  0.28  0.14  1.0
  Cu  Cu3  1  0.44  0.28  0.86  1.0

Cr Cd Cu Cu