data_SrCd2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59
_cell_length_b   3.59
_cell_length_c   7.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCd2Ni
_chemical_formula_sum   'Sr1 Cd2 Ni1'
_cell_volume   95.2
_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
  Sr  Sr3  1  0.8  0.8  0.3  1.0
  Cd  Cd0  1  0.0  0.0  0.4  1.0
  Cd  Cd1  1  0.8  0.8  0.15  1.0
  Ni  Ni2  1  0.0  0.0  0.21  1.0

data_SrCd2Ni
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   7.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrCd2Ni
_chemical_formula_sum   'Sr2 Cd4 Ni2'
_cell_volume   190.41
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Sr  Sr0  2  0.3  0.5  0.3  1.0
  Cd  Cd1  2  0.0  0.0  0.4  1.0
  Cd  Cd2  2  0.3  0.5  0.15  1.0
  Ni  Ni3  2  0.0  0.0  0.21  1.0

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