data_Ca3CdO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.41
_cell_length_b   3.41
_cell_length_c   9.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3CdO4
_chemical_formula_sum   'Ca3 Cd1 O4'
_cell_volume   111.78
_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
  Ca  Ca0  1  0.0  0.0  0.43  1.0
  Ca  Ca1  1  0.71  0.71  0.0  1.0
  Ca  Ca2  1  0.0  0.0  0.18  1.0
  Cd  Cd3  1  0.71  0.71  0.8  1.0
  O  O4  1  0.71  0.71  0.22  1.0
  O  O5  1  0.0  0.0  0.8  1.0
  O  O6  1  0.71  0.71  0.38  1.0
  O  O7  1  0.0  0.0  0.0  1.0

data_Ca3CdO4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   9.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ca3CdO4
_chemical_formula_sum   'Ca6 Cd2 O8'
_cell_volume   223.57
_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
  Ca  Ca0  2  0.0  0.0  0.18  1.0
  Ca  Ca1  2  0.0  0.0  0.43  1.0
  Ca  Ca2  2  0.21  0.5  0.0  1.0
  Cd  Cd3  2  0.21  0.5  0.8  1.0
  O  O4  2  0.0  0.0  0.0  1.0
  O  O5  2  0.0  0.0  0.8  1.0
  O  O6  2  0.21  0.5  0.22  1.0
  O  O7  2  0.21  0.5  0.38  1.0

Ca Ca Ca Cd O O O O
Ca Ca Ca Cd O O O O 0 6 - - o 1 7 + + o 2 4 - - o 2 7 o o o 3 5 + + o 4 6 o o o 