data_CdIn2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   3.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdIn2Br
_chemical_formula_sum   'Cd1 In2 Br1'
_cell_volume   112.65
_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
  Cd  Cd1  1  0.88  0.0  0.0  1.0
  In  In2  1  0.94  0.96  0.78  1.0
  In  In3  1  0.94  0.04  0.78  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_CdIn2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.55
_cell_length_b   5.64
_cell_length_c   5.64
_cell_angle_alpha   92.99
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdIn2Br
_chemical_formula_sum   'Cd1 In2 Br1'
_cell_volume   112.65
_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
  Cd  Cd0  1  -0.0  0.88  0.0  1.0
  In  In1  1  0.78  0.94  0.04  1.0
  In  In2  1  0.78  0.94  0.96  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Cd In In Br