data_CdSnSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.07
_cell_length_b   8.07
_cell_length_c   8.07
_cell_angle_alpha   131.55
_cell_angle_beta   131.55
_cell_angle_gamma   70.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSnSb2
_chemical_formula_sum   'Cd2 Sn2 Sb4'
_cell_volume   288.58
_cell_formula_units_Z   2
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
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.31  0.29  1.0
  Sn  Sn6  1  0.0  0.0  0.58  1.0
  Sn  Sn7  1  0.31  0.0  0.29  1.0
  Sb  Sb2  1  0.64  0.66  0.64  1.0
  Sb  Sb3  1  0.67  0.66  0.22  1.0
  Sb  Sb4  1  0.34  0.67  0.93  1.0
  Sb  Sb5  1  0.97  0.64  0.36  1.0

data_CdSnSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.63
_cell_length_b   6.63
_cell_length_c   8.07
_cell_angle_alpha   114.22
_cell_angle_beta   114.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSnSb2
_chemical_formula_sum   'Cd2 Sn2 Sb4'
_cell_volume   288.58
_cell_formula_units_Z   2
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
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.98  0.29  0.98  1.0
  Sn  Sn2  1  0.29  0.98  0.98  1.0
  Sn  Sn3  1  0.58  0.58  0.58  1.0
  Sb  Sb4  1  0.26  0.59  0.92  1.0
  Sb  Sb5  1  0.56  0.55  0.89  1.0
  Sb  Sb6  1  0.71  0.39  0.75  1.0
  Sb  Sb7  1  0.99  0.0  0.35  1.0

Cd Cd Sn Sn Sb Sb Sb Sb
Cd Cd Sn Sn Sb Sb Sb Sb 0 1 o o o 0 3 o o o 0 4 - - - 1 7 - o o 2 7 - - o 3 6 o - - 5 6 o o - 5 7 o o o 