data_CrCdCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   4.14
_cell_length_c   5.3
_cell_angle_alpha   90.0
_cell_angle_beta   105.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCdCu2
_chemical_formula_sum   'Cr1 Cd1 Cu2'
_cell_volume   61.38
_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  0.6  0.0  0.07  1.0
  Cd  Cd0  1  0.99  0.07  0.37  1.0
  Cu  Cu2  1  0.17  0.07  0.03  1.0
  Cu  Cu3  1  0.51  0.0  0.28  1.0

data_CrCdCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.14
_cell_length_c   5.3
_cell_angle_alpha   90.0
_cell_angle_beta   105.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCdCu2
_chemical_formula_sum   'Cr1 Cd1 Cu2'
_cell_volume   61.38
_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  0.6  0.0  0.07  1.0
  Cd  Cd1  1  0.99  0.07  0.37  1.0
  Cu  Cu2  1  0.17  0.07  0.03  1.0
  Cu  Cu3  1  0.51  0.0  0.28  1.0

Cr Cd Cu Cu
Cr Cd Cu Cu 0 3 o o o 0 2 o o o 1 3 o o o 2 3 o o o 