data_Ca2CdSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.59
_cell_length_b   6.59
_cell_length_c   6.59
_cell_angle_alpha   141.97
_cell_angle_beta   137.32
_cell_angle_gamma   58.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2CdSb
_chemical_formula_sum   'Ca2 Cd1 Sb1'
_cell_volume   118.32
_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  0.12  1.0
  Ca  Ca1  1  0.0  0.4  0.82  1.0
  Cd  Cd2  1  0.0  0.0  0.41  1.0
  Sb  Sb3  1  0.15  0.0  0.14  1.0

data_Ca2CdSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.29
_cell_length_b   4.79
_cell_length_c   6.59
_cell_angle_alpha   111.34
_cell_angle_beta   109.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2CdSb
_chemical_formula_sum   'Ca2 Cd1 Sb1'
_cell_volume   118.32
_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  0.12  0.12  1.0
  Ca  Ca1  1  0.6  0.42  0.42  1.0
  Cd  Cd2  1  0.0  0.41  0.41  1.0
  Sb  Sb3  1  0.0  0.14  1.0  1.0

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