data_AlCdNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   4.84
_cell_angle_alpha   135.16
_cell_angle_beta   135.16
_cell_angle_gamma   65.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCdNi2
_chemical_formula_sum   'Al1 Cd1 Ni2'
_cell_volume   55.61
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.85  0.0  0.04  1.0
  Ni  Ni2  1  0.0  0.0  0.08  1.0
  Ni  Ni3  1  0.0  0.85  0.04  1.0

data_AlCdNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   3.69
_cell_length_c   4.84
_cell_angle_alpha   112.42
_cell_angle_beta   112.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCdNi2
_chemical_formula_sum   'Al1 Cd1 Ni2'
_cell_volume   55.61
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.04  0.19  0.19  1.0
  Ni  Ni2  1  0.08  0.08  0.08  1.0
  Ni  Ni3  1  0.19  0.04  0.19  1.0

Al Cd Ni Ni