data_BaCdIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.82
_cell_length_b   6.82
_cell_length_c   6.82
_cell_angle_alpha   42.74
_cell_angle_beta   42.74
_cell_angle_gamma   42.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCdIn2
_chemical_formula_sum   'Ba1 Cd1 In2'
_cell_volume   132.18
_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
  Ba  Ba0  1  0.0  0.0  0.23  1.0
  Cd  Cd1  1  0.0  0.0  0.26  1.0
  In  In2  1  0.0  0.0  0.12  1.0
  In  In3  1  0.0  0.0  0.17  1.0

data_BaCdIn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.6
_cell_length_b   4.97
_cell_length_c   6.82
_cell_angle_alpha   90.0
_cell_angle_beta   114.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaCdIn2
_chemical_formula_sum   'Ba2 Cd2 In4'
_cell_volume   264.36
_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
  Ba  Ba0  2  0.0  0.0  0.23  1.0
  Cd  Cd1  2  0.0  0.0  0.26  1.0
  In  In2  2  0.0  0.0  0.12  1.0
  In  In3  2  0.0  0.0  0.17  1.0

Ba Cd In In