data_Sr2CaCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02
_cell_length_b   4.02
_cell_length_c   10.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CaCd
_chemical_formula_sum   'Sr2 Ca1 Cd1'
_cell_volume   162.3
_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  0.0  0.0  0.61  1.0
  Sr  Sr3  1  0.82  0.0  0.36  1.0
  Ca  Ca0  1  0.0  0.0  0.4  1.0
  Cd  Cd1  1  0.82  0.0  0.69  1.0

data_Sr2CaCd
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.02
_cell_length_b   4.02
_cell_length_c   10.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Sr2CaCd
_chemical_formula_sum   'Sr2 Ca1 Cd1'
_cell_volume   162.33
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.61  1.0
  Sr  Sr1  1  0.82  0.0  0.36  1.0
  Ca  Ca2  1  0.0  0.0  0.4  1.0
  Cd  Cd3  1  0.82  0.0  0.69  1.0

Sr Sr Ca Cd
Sr Sr Ca Cd 0 3 - o o 1 2 + o o 