data_Sr2CdNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   5.48
_cell_angle_alpha   120.65
_cell_angle_beta   120.65
_cell_angle_gamma   88.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CdNi
_chemical_formula_sum   'Sr2 Cd1 Ni1'
_cell_volume   115.22
_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  Sr2  1  0.71  0.0  0.96  1.0
  Sr  Sr3  1  0.0  0.71  0.96  1.0
  Cd  Cd0  1  0.0  0.0  0.91  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0

data_Sr2CdNi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.67
_cell_length_b   7.67
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   134.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2CdNi
_chemical_formula_sum   'Sr4 Cd2 Ni2'
_cell_volume   230.45
_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  4  0.14  0.14  0.24  1.0
  Cd  Cd1  2  0.0  0.0  0.91  1.0
  Ni  Ni2  2  0.0  0.0  0.0  1.0

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