data_CdCu2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   144.61
_cell_angle_beta   129.39
_cell_angle_gamma   63.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCu2Ni
_chemical_formula_sum   'Cd1 Cu2 Ni1'
_cell_volume   54.76
_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  0.0  0.24  1.0
  Cu  Cu1  1  0.51  0.0  0.99  1.0
  Cu  Cu2  1  0.0  0.13  0.25  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

data_CdCu2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   4.26
_cell_length_c   4.98
_cell_angle_alpha   115.3
_cell_angle_beta   107.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCu2Ni
_chemical_formula_sum   'Cd1 Cu2 Ni1'
_cell_volume   54.76
_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  0.76  0.76  0.76  1.0
  Cu  Cu1  1  0.52  0.01  0.52  1.0
  Cu  Cu2  1  0.75  0.88  0.88  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

Cd Cu Cu Ni