data_Sr2ZnCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   5.66
_cell_angle_alpha   122.26
_cell_angle_beta   120.03
_cell_angle_gamma   88.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2ZnCd
_chemical_formula_sum   'Sr2 Zn1 Cd1'
_cell_volume   126.15
_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  Sr1  1  0.73  0.0  0.02  1.0
  Sr  Sr2  1  0.0  0.83  0.05  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.0  0.07  1.0

data_Sr2ZnCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.47
_cell_length_b   5.66
_cell_length_c   5.66
_cell_angle_alpha   119.99
_cell_angle_beta   118.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2ZnCd
_chemical_formula_sum   'Sr2 Zn1 Cd1'
_cell_volume   126.15
_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  Sr0  1  0.0  0.02  0.29  1.0
  Sr  Sr1  1  0.17  0.22  0.22  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Cd  Cd3  1  0.0  0.07  0.07  1.0

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