data_MgCd2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   4.63
_cell_angle_alpha   114.07
_cell_angle_beta   114.07
_cell_angle_gamma   34.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCd2Ni
_chemical_formula_sum   'Mg1 Cd2 Ni1'
_cell_volume   72.0
_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
  Mg  Mg2  1  0.98  0.0  0.94  1.0
  Cd  Cd0  1  0.26  0.0  0.11  1.0
  Cd  Cd1  1  0.15  0.0  0.16  1.0
  Ni  Ni3  1  0.38  0.0  0.07  1.0

data_MgCd2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   4.63
_cell_length_c   5.49
_cell_angle_alpha   114.07
_cell_angle_beta   107.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCd2Ni
_chemical_formula_sum   'Mg1 Cd2 Ni1'
_cell_volume   72.0
_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
  Mg  Mg0  1  0.0  0.94  0.98  1.0
  Cd  Cd1  1  0.0  0.11  0.26  1.0
  Cd  Cd2  1  0.0  0.16  0.15  1.0
  Ni  Ni3  1  0.0  0.07  0.38  1.0

Mg Cd Cd Ni
Mg Cd Cd Ni 0 2 + o + 1 2 o o o 1 3 o o o 