data_CrCd2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.99
_cell_length_b   8.99
_cell_length_c   8.99
_cell_angle_alpha   21.14
_cell_angle_beta   21.14
_cell_angle_gamma   21.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCd2Br
_chemical_formula_sum   'Cr1 Cd2 Br1'
_cell_volume   82.92
_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
  Cr  Cr3  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.0  0.73  1.0
  Cd  Cd2  1  0.0  0.0  0.64  1.0
  Br  Br0  1  0.0  0.0  0.19  1.0

data_CrCd2Br
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.72
_cell_length_b   3.3
_cell_length_c   8.99
_cell_angle_alpha   90.0
_cell_angle_beta   102.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrCd2Br
_chemical_formula_sum   'Cr2 Cd4 Br2'
_cell_volume   165.83
_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
  Cr  Cr0  2  0.0  0.0  0.0  1.0
  Cd  Cd1  2  0.0  0.0  0.27  1.0
  Cd  Cd2  2  0.0  0.0  0.36  1.0
  Br  Br3  2  0.0  0.0  0.81  1.0

Cr Cd Cd Br