data_CdInCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13
_cell_length_b   4.33
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   101.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdInCu2
_chemical_formula_sum   'Cd1 In1 Cu2'
_cell_volume   69.37
_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  0.98  0.0  0.17  1.0
  In  In3  1  0.05  0.16  0.26  1.0
  Cu  Cu1  1  0.49  0.16  0.05  1.0
  Cu  Cu2  1  0.64  0.0  0.34  1.0

data_CdInCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.33
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   101.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdInCu2
_chemical_formula_sum   'Cd1 In1 Cu2'
_cell_volume   69.37
_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  0.98  0.0  0.17  1.0
  In  In1  1  0.05  0.16  0.26  1.0
  Cu  Cu2  1  0.49  0.16  0.05  1.0
  Cu  Cu3  1  0.64  0.0  0.34  1.0

Cd In Cu Cu