data_CaCdNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   142.99
_cell_angle_beta   131.48
_cell_angle_gamma   62.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCdNi2
_chemical_formula_sum   'Ca1 Cd1 Ni2'
_cell_volume   69.57
_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
  Ca  Ca0  1  0.0  0.0  0.53  1.0
  Cd  Cd1  1  0.0  0.21  0.48  1.0
  Ni  Ni2  1  0.0  0.0  0.2  1.0
  Ni  Ni3  1  0.71  0.0  0.98  1.0

data_CaCdNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   4.42
_cell_length_c   5.38
_cell_angle_alpha   114.26
_cell_angle_beta   108.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCdNi2
_chemical_formula_sum   'Ca1 Cd1 Ni2'
_cell_volume   69.57
_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
  Ca  Ca0  1  0.47  0.47  0.47  1.0
  Cd  Cd1  1  0.52  0.73  0.73  1.0
  Ni  Ni2  1  0.73  0.02  0.73  1.0
  Ni  Ni3  1  0.8  0.8  0.8  1.0

Ca Cd Ni Ni
Ca Cd Ni Ni 0 1 o o o 1 2 o o o 2 3 - o - 