data_Cd2GeBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.02
_cell_length_b   7.02
_cell_length_c   7.02
_cell_angle_alpha   152.98
_cell_angle_beta   139.21
_cell_angle_gamma   49.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2GeBr
_chemical_formula_sum   'Cd2 Ge1 Br1'
_cell_volume   102.22
_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  0.64  0.0  0.59  1.0
  Cd  Cd2  1  0.0  0.45  0.78  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.0  0.0  0.37  1.0

data_Cd2GeBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   4.89
_cell_length_c   7.02
_cell_angle_alpha   110.39
_cell_angle_beta   103.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2GeBr
_chemical_formula_sum   'Cd2 Ge1 Br1'
_cell_volume   102.22
_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  0.05  0.41  0.05  1.0
  Cd  Cd1  1  0.22  0.67  0.67  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Br  Br3  1  0.63  0.63  0.63  1.0

Cd Cd Ge Br