data_Al2CdIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   132.94
_cell_angle_beta   132.94
_cell_angle_gamma   68.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CdIn
_chemical_formula_sum   'Al2 Cd1 In1'
_cell_volume   84.42
_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
  Al  Al0  1  0.0  0.17  0.24  1.0
  Al  Al1  1  0.17  0.0  0.24  1.0
  Cd  Cd2  1  0.0  0.0  0.0  1.0
  In  In3  1  0.0  0.0  0.48  1.0

data_Al2CdIn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.14
_cell_length_b   6.14
_cell_length_c   5.43
_cell_angle_alpha   90.0
_cell_angle_beta   124.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Al2CdIn
_chemical_formula_sum   'Al4 Cd2 In2'
_cell_volume   168.85
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Al  Al0  4  0.34  0.42  0.93  1.0
  Cd  Cd1  2  0.0  0.0  0.0  1.0
  In  In2  2  0.02  0.5  0.52  1.0

Al Al Cd In
Al Al Cd In 0 2 o o o 0 1 o o o 0 3 o o o 1 2 o o o 1 3 o o o 