data_CdIn2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33
_cell_length_b   6.33
_cell_length_c   6.33
_cell_angle_alpha   146.0
_cell_angle_beta   125.94
_cell_angle_gamma   65.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdIn2Br
_chemical_formula_sum   'Cd1 In2 Br1'
_cell_volume   113.65
_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  0.0  0.0  0.33  1.0
  In  In2  1  0.85  0.0  0.69  1.0
  In  In3  1  0.0  0.88  0.64  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   3.7
_cell_length_b   5.76
_cell_length_c   6.33
_cell_angle_alpha   117.03
_cell_angle_beta   107.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdIn2Br
_chemical_formula_sum   'Cd1 In2 Br1'
_cell_volume   113.65
_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  0.33  0.33  1.0
  In  In1  1  0.0  0.69  0.84  1.0
  In  In2  1  0.12  0.76  0.76  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Cd In In Br