data_CrCd2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.3
_cell_length_b   5.92
_cell_length_c   5.92
_cell_angle_alpha   32.64
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCd2Br
_chemical_formula_sum   'Cr1 Cd2 Br1'
_cell_volume   81.18
_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
  Cr  Cr3  1  0.0  0.0  0.11  1.0
  Cd  Cd1  1  0.0  0.0  0.67  1.0
  Cd  Cd2  1  0.15  0.0  0.58  1.0
  Br  Br0  1  0.15  0.0  0.38  1.0

data_CrCd2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   4.3
_cell_length_c   5.92
_cell_angle_alpha   90.0
_cell_angle_beta   106.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCd2Br
_chemical_formula_sum   'Cr1 Cd2 Br1'
_cell_volume   81.18
_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
  Cr  Cr0  1  0.89  0.0  0.89  1.0
  Cd  Cd1  1  0.33  0.0  0.33  1.0
  Cd  Cd2  1  0.42  0.15  0.42  1.0
  Br  Br3  1  0.62  0.15  0.62  1.0

Cr Cd Cd Br
Cr Cd Cd Br 0 3 o o o 1 2 o o o 2 3 o o o 