data_CdIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   5.69
_cell_angle_alpha   131.75
_cell_angle_beta   131.75
_cell_angle_gamma   70.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdIn
_chemical_formula_sum   'Cd2 In2'
_cell_volume   100.5
_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  0.33  0.32  1.0
  Cd  Cd1  1  0.0  0.0  0.0  1.0
  In  In2  1  0.33  0.0  0.32  1.0
  In  In3  1  0.0  0.0  0.64  1.0

data_CdIn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   5.69
_cell_angle_alpha   114.12
_cell_angle_beta   114.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdIn
_chemical_formula_sum   'Cd2 In2'
_cell_volume   100.5
_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  0.33  0.0  1.0
  In  In2  1  0.36  0.0  0.36  1.0
  In  In3  1  0.68  0.0  0.0  1.0

Cd Cd In In
Cd Cd In In 0 1 o o o 1 2 o o o 1 3 o o - 