data_CdCo2Ni
_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   143.18
_cell_angle_beta   127.97
_cell_angle_gamma   65.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCo2Ni
_chemical_formula_sum   'Cd1 Co2 Ni1'
_cell_volume   52.96
_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  0.12  0.04  1.0
  Co  Co1  1  0.0  0.0  0.17  1.0
  Co  Co2  1  0.53  0.0  1.0  1.0
  Ni  Ni3  1  0.0  0.0  0.94  1.0

data_CdCo2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.25
_cell_length_c   4.84
_cell_angle_alpha   116.01
_cell_angle_beta   108.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCo2Ni
_chemical_formula_sum   'Cd1 Co2 Ni1'
_cell_volume   52.96
_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  0.88  0.91  0.91  1.0
  Co  Co1  1  0.0  0.17  0.17  1.0
  Co  Co2  1  0.0  1.0  0.47  1.0
  Ni  Ni3  1  0.0  0.94  0.94  1.0

Cd Co Co Ni