data_Cd2ReBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.3
_cell_length_b   7.3
_cell_length_c   7.3
_cell_angle_alpha   157.32
_cell_angle_beta   143.95
_cell_angle_gamma   43.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2ReBr
_chemical_formula_sum   'Cd2 Re1 Br1'
_cell_volume   88.15
_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  0.44  0.0  0.21  1.0
  Cd  Cd2  1  0.0  0.26  0.58  1.0
  Re  Re3  1  0.0  0.0  0.79  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Cd2ReBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.52
_cell_length_c   7.3
_cell_angle_alpha   108.03
_cell_angle_beta   101.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2ReBr
_chemical_formula_sum   'Cd2 Re1 Br1'
_cell_volume   88.15
_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  0.0  0.21  0.77  1.0
  Cd  Cd1  1  0.74  0.32  0.32  1.0
  Re  Re2  1  0.0  0.79  0.79  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Cd Cd Re Br