data_Zn2CdBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.21
_cell_length_b   6.21
_cell_length_c   6.21
_cell_angle_alpha   141.31
_cell_angle_beta   141.31
_cell_angle_gamma   55.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2CdBr
_chemical_formula_sum   'Zn2 Cd1 Br1'
_cell_volume   93.06
_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
  Zn  Zn2  1  0.0  0.06  0.75  1.0
  Zn  Zn3  1  0.06  0.0  0.75  1.0
  Cd  Cd1  1  0.0  0.0  0.49  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Zn2CdBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.82
_cell_length_b   5.82
_cell_length_c   6.21
_cell_angle_alpha   90.0
_cell_angle_beta   117.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zn2CdBr
_chemical_formula_sum   'Zn4 Cd2 Br2'
_cell_volume   186.13
_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
  Zn  Zn0  4  0.03  0.03  0.31  1.0
  Cd  Cd1  2  0.0  0.0  0.51  1.0
  Br  Br2  2  0.0  0.0  0.0  1.0

Zn Zn Cd Br