data_Cd2InRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   5.41
_cell_angle_alpha   136.84
_cell_angle_beta   134.06
_cell_angle_gamma   64.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2InRe
_chemical_formula_sum   'Cd2 In1 Re1'
_cell_volume   76.89
_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  0.0  0.11  1.0
  Cd  Cd1  1  0.99  0.0  0.3  1.0
  In  In2  1  0.0  0.0  0.61  1.0
  Re  Re3  1  0.0  0.11  0.26  1.0

data_Cd2InRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.98
_cell_length_b   4.23
_cell_length_c   5.41
_cell_angle_alpha   112.97
_cell_angle_beta   111.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2InRe
_chemical_formula_sum   'Cd2 In1 Re1'
_cell_volume   76.89
_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  0.69  0.7  0.69  1.0
  Cd  Cd1  1  0.89  0.89  0.89  1.0
  In  In2  1  0.39  0.39  0.39  1.0
  Re  Re3  1  0.74  0.85  0.85  1.0

Cd Cd In Re
Cd Cd In Re 0 3 o o o 1 3 + o o 1 2 + o o 