data_Cd2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.22
_cell_length_b   14.22
_cell_length_c   14.22
_cell_angle_alpha   161.49
_cell_angle_beta   161.49
_cell_angle_gamma   26.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2In
_chemical_formula_sum   'Cd8 In4'
_cell_volume   289.99
_cell_formula_units_Z   4
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  0.29  0.83  1.0
  Cd  Cd1  1  0.0  0.29  0.02  1.0
  Cd  Cd2  1  0.0  0.0  0.91  1.0
  Cd  Cd3  1  0.0  0.0  0.8  1.0
  Cd  Cd4  1  0.29  0.0  0.65  1.0
  Cd  Cd5  1  0.29  0.0  0.2  1.0
  Cd  Cd6  1  0.0  0.0  0.58  1.0
  Cd  Cd7  1  0.0  0.0  0.12  1.0
  In  In8  1  0.0  0.29  0.21  1.0
  In  In9  1  0.0  0.29  0.65  1.0
  In  In10  1  0.0  0.0  0.28  1.0
  In  In11  1  0.0  0.0  0.42  1.0

data_Cd2In
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   14.22
_cell_angle_alpha   99.26
_cell_angle_beta   99.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2In
_chemical_formula_sum   'Cd8 In4'
_cell_volume   289.99
_cell_formula_units_Z   4
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  0.09  0.0  0.09  1.0
  Cd  Cd1  1  0.2  0.0  0.2  1.0
  Cd  Cd2  1  0.27  0.29  0.27  1.0
  Cd  Cd3  1  0.35  0.0  0.63  1.0
  Cd  Cd4  1  0.42  0.0  0.42  1.0
  Cd  Cd5  1  0.45  0.29  0.45  1.0
  Cd  Cd6  1  0.8  0.0  0.09  1.0
  Cd  Cd7  1  0.88  0.0  0.88  1.0
  In  In8  1  0.08  0.29  0.08  1.0
  In  In9  1  0.58  0.0  0.58  1.0
  In  In10  1  0.64  0.29  0.64  1.0
  In  In11  1  0.72  0.0  0.72  1.0

Cd Cd Cd Cd Cd Cd Cd Cd In In In In
Cd Cd Cd Cd Cd Cd Cd Cd In In In In 0 6 o o o 1 3 o o - 2 8 o o + 2 5 o o + 2 3 o o o 4 11 o o o 4 10 o o o 7 10 o o o 9 11 o o o 9 10 o o o 10 11 o o o 