data_CdBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.0
_cell_length_b   4.15
_cell_length_c   7.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdBr3
_chemical_formula_sum   'Cd1 Br3'
_cell_volume   120.13
_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  Cd3  1  1.0  0.08  0.06  1.0
  Br  Br0  1  0.0  0.08  0.91  1.0
  Br  Br1  1  0.0  0.0  0.94  1.0
  Br  Br2  1  1.0  0.0  0.98  1.0

data_CdBr3
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.15
_cell_length_b   4.0
_cell_length_c   7.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CdBr3
_chemical_formula_sum   'Cd1 Br3'
_cell_volume   120.13
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.08  0.0  0.06  1.0
  Br  Br1  1  0.0  0.0  0.94  1.0
  Br  Br2  1  0.0  0.0  0.98  1.0
  Br  Br3  1  0.08  0.0  0.91  1.0

Cd Br Br Br