data_CdSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03
_cell_length_b   6.03
_cell_length_c   6.03
_cell_angle_alpha   103.21
_cell_angle_beta   103.21
_cell_angle_gamma   122.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSn2
_chemical_formula_sum   'Cd2 Sn4'
_cell_volume   161.36
_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  0.44  1.0
  Cd  Cd1  1  0.0  0.0  0.32  1.0
  Sn  Sn2  1  0.12  0.62  0.88  1.0
  Sn  Sn3  1  0.62  0.12  0.0  1.0
  Sn  Sn4  1  0.12  0.86  0.0  1.0
  Sn  Sn5  1  0.62  0.88  0.88  1.0

data_CdSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.76
_cell_length_b   6.03
_cell_length_c   6.03
_cell_angle_alpha   76.79
_cell_angle_beta   61.44
_cell_angle_gamma   61.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSn2
_chemical_formula_sum   'Cd2 Sn4'
_cell_volume   161.36
_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  0.56  0.44  0.0  1.0
  Cd  Cd1  1  0.68  0.32  0.0  1.0
  Sn  Sn2  1  0.0  0.88  0.74  1.0
  Sn  Sn3  1  0.12  0.0  0.51  1.0
  Sn  Sn4  1  0.74  0.88  0.49  1.0
  Sn  Sn5  1  0.86  0.0  0.26  1.0

Cd Cd Sn Sn Sn Sn
Cd Cd Sn Sn Sn Sn 0 1 o o o 2 4 o o + 3 5 o - - 