data_CaCd2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.68
_cell_length_b   3.68
_cell_length_c   7.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCd2Sb
_chemical_formula_sum   'Ca1 Cd2 Sb1'
_cell_volume   106.82
_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  0.0  1.0
  Cd  Cd1  1  0.48  0.0  0.12  1.0
  Cd  Cd2  1  0.48  0.0  0.81  1.0
  Sb  Sb3  1  0.0  0.0  0.97  1.0

data_CaCd2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   3.68
_cell_length_c   7.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCd2Sb
_chemical_formula_sum   'Ca1 Cd2 Sb1'
_cell_volume   106.82
_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  0.0  1.0
  Cd  Cd1  1  0.48  0.0  0.12  1.0
  Cd  Cd2  1  0.48  0.0  0.81  1.0
  Sb  Sb3  1  0.0  0.0  0.97  1.0

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